AA12434
113806-05-6 | (Z)-2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA12434
ChemicalName
(Z)-2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
CasNumber
113806-05-6
MolecularFormula
C21H23NO3
MolecularWeight
337.4122
MdlNumber
MFCD00865645
Smiles
CN(CC/C=C/1c2cc(ccc2OCc2c1cccc2)CC(=O)O)C
Complexity
488
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.5
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CatalogNumber: AA12434
ChemicalName: (Z)-2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
CasNumber: 113806-05-6
MolecularFormula: C21H23NO3
MolecularWeight: 337.4122
MdlNumber: MFCD00865645
Smiles: CN(CC/C=C/1c2cc(ccc2OCc2c1cccc2)CC(=O)O)C
Complexity: 488
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.5
CatalogNumber:
AA12434
ChemicalName:
(Z)-2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
CasNumber:
113806-05-6
MolecularFormula:
C21H23NO3
MolecularWeight:
337.4122
MdlNumber:
MFCD00865645
Smiles:
CN(CC/C=C/1c2cc(ccc2OCc2c1cccc2)CC(=O)O)C
Complexity:
488
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.5
CatalogNumber: __
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Smiles: NCCCN(CCCCN(CCCN)CC)CC
Complexity: __
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Smiles:
NCCCN(CCCCN(CCCN)CC)CC
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Smiles: CCNCCCNCCCCNCCCNCC.Cl.Cl.Cl.Cl
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Smiles:
CCNCCCNCCCCNCCCNCC.Cl.Cl.Cl.Cl
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Smiles: O=C(C=Cc1ccc(cc1)O)NCCCCNC(=O)C=Cc1ccc(c(c1)O)O
Complexity: __
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Smiles:
O=C(C=Cc1ccc(cc1)O)NCCCCNC(=O)C=Cc1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__