Basic information
- Standard SMILES
COC(=O)CCc1ccc(N(Cc2ccc(N=Cc3nc(-c4ccccc4)cs3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1- InChIKey
ZZVUQJOCIVXNJM-UHFFFAOYSA-N- Molecular formula
- C33H28N4O6S2
- Average molar mass
- 640.7 g/mol
- Monoisotopic mass
- 640.14502697
Names & identifiers
- Preferred name
- methyl 3-{4-[[(2-nitrophenyl)sulfonyl](4-{[(1E)-(4-phenyl-1,3-thiazol-2-yl)methylene]amino}benzyl)amino]phenyl}propanoate
- IUPAC
- methyl 3-[4-[(2-nitrophenyl)sulfonyl-[[4-[(4-phenyl-1,3-thiazol-2-yl)methylideneamino]phenyl]methyl]amino]phenyl]propanoate
Names & synonyms
SCHEMBL3629354SCHEMBL3629356ZZVUQJOCIVXNJM-KEIPNQJHSA-Nmethyl 3-{4-[[(2-nitrophenyl)sulfonyl](4-{[(1E)-(4-phenyl-1,3-thiazol-2-yl)methylene]amino}benzyl)amino]phenyl}propanoate
Database identifiers
- PubChem CID
- 23157601
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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