AI10787
1169705-95-6 | 9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5h)-one
Manufacturer: A2B Chem
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CatalogNumber
AI10787
ChemicalName
9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5h)-one
CasNumber
1169705-95-6
MolecularFormula
C20H20N2O
MolecularWeight
304.3856
MdlNumber
MFCD29917024
Smiles
O=C1Nc2ccccc2-c2c(C1)c1cc(ccc1[nH]2)C(C)(C)C
Complexity
469
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AI10787
ChemicalName: 9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5h)-one
CasNumber: 1169705-95-6
MolecularFormula: C20H20N2O
MolecularWeight: 304.3856
MdlNumber: MFCD29917024
Smiles: O=C1Nc2ccccc2-c2c(C1)c1cc(ccc1[nH]2)C(C)(C)C
Complexity: 469
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AI10787
ChemicalName:
9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5h)-one
CasNumber:
1169705-95-6
MolecularFormula:
C20H20N2O
MolecularWeight:
304.3856
MdlNumber:
MFCD29917024
Smiles:
O=C1Nc2ccccc2-c2c(C1)c1cc(ccc1[nH]2)C(C)(C)C
Complexity:
469
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
4.2
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Smiles: OC(=O)C12NCCC(C1)C2
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OC(=O)C12NCCC(C1)C2
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Smiles: N#CC12CC(C1)CCN2Cc1ccccc1
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N#CC12CC(C1)CCN2Cc1ccccc1
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Smiles: Clc1cc(Cl)c2c(c1)C(=O)CC1(O2)CCC1
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Smiles:
Clc1cc(Cl)c2c(c1)C(=O)CC1(O2)CCC1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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