AF00737
1437794-63-2 | 1,3-Bis(2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
Manufacturer: A2B Chem
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CatalogNumber
AF00737
ChemicalName
1,3-Bis(2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CasNumber
1437794-63-2
MolecularFormula
C25H26N4O
MolecularWeight
398.5001
MdlNumber
MFCD24448804
Smiles
O=C(NC1CCc2c(C1)c1ccccc1[nH]2)NC1CCc2c(C1)c1ccccc1[nH]2
Complexity
589
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
4.5
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CatalogNumber: AF00737
ChemicalName: 1,3-Bis(2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CasNumber: 1437794-63-2
MolecularFormula: C25H26N4O
MolecularWeight: 398.5001
MdlNumber: MFCD24448804
Smiles: O=C(NC1CCc2c(C1)c1ccccc1[nH]2)NC1CCc2c(C1)c1ccccc1[nH]2
Complexity: 589
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 4.5
CatalogNumber:
AF00737
ChemicalName:
1,3-Bis(2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CasNumber:
1437794-63-2
MolecularFormula:
C25H26N4O
MolecularWeight:
398.5001
MdlNumber:
MFCD24448804
Smiles:
O=C(NC1CCc2c(C1)c1ccccc1[nH]2)NC1CCc2c(C1)c1ccccc1[nH]2
Complexity:
589
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN(C(=O)OC(C)(C)C)Cc1ccccc1N
Complexity: 289
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN(C(=O)OC(C)(C)C)Cc1ccccc1N
Complexity:
289
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: AF00739
ChemicalName: 1,4-Dimethanesulfonyl-2-(trifluoromethyl)benzene
CasNumber: 1445322-52-0
MolecularFormula: C9H9F3O4S2
MolecularWeight: 302.2906
MdlNumber: MFCD25121764
Smiles: FC(c1cc(ccc1S(=O)(=O)C)S(=O)(=O)C)(F)F
Complexity: 495
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
AF00739
ChemicalName:
1,4-Dimethanesulfonyl-2-(trifluoromethyl)benzene
CasNumber:
1445322-52-0
MolecularFormula:
C9H9F3O4S2
MolecularWeight:
302.2906
MdlNumber:
MFCD25121764
Smiles:
FC(c1cc(ccc1S(=O)(=O)C)S(=O)(=O)C)(F)F
Complexity:
495
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1)c1nnn[nH]1
Complexity: 318
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1)c1nnn[nH]1
Complexity:
318
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7