AI40307
1820614-60-5 | Benzyl N-(1-benzothiophen-2-yl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI40307
ChemicalName
Benzyl N-(1-benzothiophen-2-yl)carbamate
CasNumber
1820614-60-5
MolecularFormula
C16H13NO2S
MolecularWeight
283.3449
MdlNumber
MFCD27981314
Smiles
O=C(Nc1cc2c(s1)cccc2)OCc1ccccc1
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
4.3
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CatalogNumber: AI40307
ChemicalName: Benzyl N-(1-benzothiophen-2-yl)carbamate
CasNumber: 1820614-60-5
MolecularFormula: C16H13NO2S
MolecularWeight: 283.3449
MdlNumber: MFCD27981314
Smiles: O=C(Nc1cc2c(s1)cccc2)OCc1ccccc1
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 4.3
CatalogNumber:
AI40307
ChemicalName:
Benzyl N-(1-benzothiophen-2-yl)carbamate
CasNumber:
1820614-60-5
MolecularFormula:
C16H13NO2S
MolecularWeight:
283.3449
MdlNumber:
MFCD27981314
Smiles:
O=C(Nc1cc2c(s1)cccc2)OCc1ccccc1
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
4.3
CatalogNumber: AI40308
ChemicalName: 4-Bromo-2-methanesulfonyl-1-(trifluoromethoxy)benzene
CasNumber: 1820614-61-6
MolecularFormula: C8H6BrF3O3S
MolecularWeight: 319.0956
MdlNumber: MFCD25953928
Smiles: Brc1ccc(c(c1)S(=O)(=O)C)OC(F)(F)F
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AI40308
ChemicalName:
4-Bromo-2-methanesulfonyl-1-(trifluoromethoxy)benzene
CasNumber:
1820614-61-6
MolecularFormula:
C8H6BrF3O3S
MolecularWeight:
319.0956
MdlNumber:
MFCD25953928
Smiles:
Brc1ccc(c(c1)S(=O)(=O)C)OC(F)(F)F
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1F)c1ccccc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1F)c1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cccc2c1ccnc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cccc2c1ccnc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__