AI09593
1142210-57-8 | 4-(5-([(4-Methoxyphenyl)amino]carbonyl)-1,3,4-thiadiazol-2-yl)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI09593
ChemicalName
4-(5-([(4-Methoxyphenyl)amino]carbonyl)-1,3,4-thiadiazol-2-yl)butanoic acid
CasNumber
1142210-57-8
MolecularFormula
C14H15N3O4S
MolecularWeight
321.3516
MdlNumber
MFCD12028350
Smiles
COc1ccc(cc1)NC(=O)c1nnc(s1)CCCC(=O)O
Complexity
388
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
1.7
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CatalogNumber: AI09593
ChemicalName: 4-(5-([(4-Methoxyphenyl)amino]carbonyl)-1,3,4-thiadiazol-2-yl)butanoic acid
CasNumber: 1142210-57-8
MolecularFormula: C14H15N3O4S
MolecularWeight: 321.3516
MdlNumber: MFCD12028350
Smiles: COc1ccc(cc1)NC(=O)c1nnc(s1)CCCC(=O)O
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 1.7
CatalogNumber:
AI09593
ChemicalName:
4-(5-([(4-Methoxyphenyl)amino]carbonyl)-1,3,4-thiadiazol-2-yl)butanoic acid
CasNumber:
1142210-57-8
MolecularFormula:
C14H15N3O4S
MolecularWeight:
321.3516
MdlNumber:
MFCD12028350
Smiles:
COc1ccc(cc1)NC(=O)c1nnc(s1)CCCC(=O)O
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
1.7
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Smiles: Clc1ccc(cc1)NC(=O)c1nnc(s1)COc1ccc(cc1)C(=O)O
Complexity: __
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Smiles:
Clc1ccc(cc1)NC(=O)c1nnc(s1)COc1ccc(cc1)C(=O)O
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__
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Smiles: CN(C1CCNCC1)CCN1CCOCC1
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CN(C1CCNCC1)CCN1CCOCC1
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Smiles: CCOC(=O)c1nnc(s1)C(=O)Nc1ccc(cc1)Cl
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MolecularFormula:
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Smiles:
CCOC(=O)c1nnc(s1)C(=O)Nc1ccc(cc1)Cl
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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