AB51820
43210-67-9 | methyl N-[5-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AB51820
ChemicalName
methyl N-[5-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate
CasNumber
43210-67-9
MolecularFormula
C15H13N3O2S
MolecularWeight
299.3476
MdlNumber
MFCD00144301
Smiles
COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1
NscNumber
757824
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AB51820
ChemicalName: methyl N-[5-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate
CasNumber: 43210-67-9
MolecularFormula: C15H13N3O2S
MolecularWeight: 299.3476
MdlNumber: MFCD00144301
Smiles: COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1
NscNumber: 757824
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AB51820
ChemicalName:
methyl N-[5-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate
CasNumber:
43210-67-9
MolecularFormula:
C15H13N3O2S
MolecularWeight:
299.3476
MdlNumber:
MFCD00144301
Smiles:
COC(=O)Nc1nc2c([nH]1)cc(cc2)Sc1ccccc1
NscNumber:
757824
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
3.6
CatalogNumber: AB51821
ChemicalName: (5-Bromo-2-methylphenyl)(5-(4-fluorophenyl)thiophen-2-yl)methanone
CasNumber: 1132832-75-7
MolecularFormula: C18H12BrFOS
MolecularWeight: 375.2547
MdlNumber: MFCD25977368
Smiles: Fc1ccc(cc1)c1ccc(s1)C(=O)c1cc(Br)ccc1C
NscNumber: __
Complexity: 397
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 6.1
CatalogNumber:
AB51821
ChemicalName:
(5-Bromo-2-methylphenyl)(5-(4-fluorophenyl)thiophen-2-yl)methanone
CasNumber:
1132832-75-7
MolecularFormula:
C18H12BrFOS
MolecularWeight:
375.2547
MdlNumber:
MFCD25977368
Smiles:
Fc1ccc(cc1)c1ccc(s1)C(=O)c1cc(Br)ccc1C
NscNumber:
__
Complexity:
397
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
6.1
CatalogNumber: AB51822
ChemicalName: (3R,4S,5R,6R)-3,4,5-Tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2h-pyran-2-one
CasNumber: 32384-65-9
MolecularFormula: C18H42O6Si4
MolecularWeight: 466.8644799999999
MdlNumber: MFCD22665922
Smiles: O=C1O[C@H](CO[Si](C)(C)C)[C@H]([C@@H]([C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
NscNumber: __
Complexity: 530
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 9
Xlogp3: __
CatalogNumber:
AB51822
ChemicalName:
(3R,4S,5R,6R)-3,4,5-Tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2h-pyran-2-one
CasNumber:
32384-65-9
MolecularFormula:
C18H42O6Si4
MolecularWeight:
466.8644799999999
MdlNumber:
MFCD22665922
Smiles:
O=C1O[C@H](CO[Si](C)(C)C)[C@H]([C@@H]([C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
NscNumber:
__
Complexity:
530
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
9
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
NscNumber: __
Complexity: 605
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
NscNumber:
__
Complexity:
605
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.9