AH51099
761439-42-3 | Nvp-tae684
Manufacturer: A2B Chem
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CatalogNumber
AH51099
ChemicalName
Nvp-tae684
CasNumber
761439-42-3
MolecularFormula
C30H40ClN7O3S
MolecularWeight
614.2017
MdlNumber
MFCD11977634
Smiles
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C
Complexity
940
Covalently-bondedUnitCount
1
HeavyAtomCount
42
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
5.7
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CatalogNumber: AH51099
ChemicalName: Nvp-tae684
CasNumber: 761439-42-3
MolecularFormula: C30H40ClN7O3S
MolecularWeight: 614.2017
MdlNumber: MFCD11977634
Smiles: COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C
Complexity: 940
Covalently-bondedUnitCount: 1
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 5.7
CatalogNumber:
AH51099
ChemicalName:
Nvp-tae684
CasNumber:
761439-42-3
MolecularFormula:
C30H40ClN7O3S
MolecularWeight:
614.2017
MdlNumber:
MFCD11977634
Smiles:
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C
Complexity:
940
Covalently-bondedUnitCount:
1
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
5.7
CatalogNumber: __
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MolecularFormula: __
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Smiles: ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2
Complexity: __
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Smiles:
ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2
Complexity:
__
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CNC(=O)c1nn(c2-c3nc(ncc3CC(c12)(C)C)Nc1ccc(cc1)N1CCN(CC1)C)C
Complexity: __
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Smiles:
CNC(=O)c1nn(c2-c3nc(ncc3CC(c12)(C)C)Nc1ccc(cc1)N1CCN(CC1)C)C
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: [N-]=[N+]=C(P(=O)(OC)O)C(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[N-]=[N+]=C(P(=O)(OC)O)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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