AE34873
1252003-15-8 | Tubastatin a
Manufacturer: A2B Chem
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CatalogNumber
AE34873
ChemicalName
Tubastatin a
CasNumber
1252003-15-8
MolecularFormula
C20H21N3O2
MolecularWeight
335.39963999999986
MdlNumber
MFCD18071463
Smiles
ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C
Complexity
478
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AE34873
ChemicalName: Tubastatin a
CasNumber: 1252003-15-8
MolecularFormula: C20H21N3O2
MolecularWeight: 335.39963999999986
MdlNumber: MFCD18071463
Smiles: ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C
Complexity: 478
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AE34873
ChemicalName:
Tubastatin a
CasNumber:
1252003-15-8
MolecularFormula:
C20H21N3O2
MolecularWeight:
335.39963999999986
MdlNumber:
MFCD18071463
Smiles:
ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C
Complexity:
478
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC1CCC(CC1)NC(=O)[C@@H]1N[C@H]([C@]2([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c2ccc(c1)Cl)CC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC1CCC(CC1)NC(=O)[C@@H]1N[C@H]([C@]2([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c2ccc(c1)Cl)CC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularWeight: __
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Smiles: OC[C@H]1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC[C@H]1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CN(Cc1cccc(c1)N=C(c1c(O)[nH]c2c1ccc(c2)C(=O)N(C)C)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(Cc1cccc(c1)N=C(c1c(O)[nH]c2c1ccc(c2)C(=O)N(C)C)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__