4-amino-N-[(4-chlorophenyl)methyl]-2-(2-methylanilino)-5-(3-nitrobenzoyl)thiophene-3-carboxamide
Chemical Structure Depiction of
4-amino-N-[(4-chlorophenyl)methyl]-2-(2-methylanilino)-5-(3-nitrobenzoyl)thiophene-3-carboxamide
4-amino-N-[(4-chlorophenyl)methyl]-2-(2-methylanilino)-5-(3-nitrobenzoyl)thiophene-3-carboxamide
Compound characteristics
| Compound ID: | K264-0058 |
| Compound Name: | 4-amino-N-[(4-chlorophenyl)methyl]-2-(2-methylanilino)-5-(3-nitrobenzoyl)thiophene-3-carboxamide |
| Molecular Weight: | 520.99 |
| Molecular Formula: | C26 H21 Cl N4 O4 S |
| Smiles: | Cc1ccccc1Nc1c(C(NCc2ccc(cc2)[Cl])=O)c(c(C(c2cccc(c2)[N+]([O-])=O)=O)s1)N |
| Stereo: | ACHIRAL |
| logP: | 5.7356 |
| logD: | 5.7356 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.896 |
| InChI Key: | IMVWPVKZYWYOPQ-UHFFFAOYSA-N |