3-chloro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}-1-benzothiophene-2-carboxamide
3-chloro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 4052-2323 |
| Compound Name: | 3-chloro-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C19 H12 Cl N3 O3 S2 |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)c1cnc(NC(c2c(c3ccccc3s2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.0253 |
| logD: | 5.9441 |
| logSw: | -6.3634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.755 |
| InChI Key: | XFLHRMKSVMEHLM-UHFFFAOYSA-N |