4-amino-2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
4-amino-2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
4-amino-2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | K611-0094 |
| Compound Name: | 4-amino-2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C15 H12 N6 O4 S3 |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)Sc1nc(c(C(Nc2nccs2)=O)s1)N |
| Stereo: | ACHIRAL |
| logP: | 2.8435 |
| logD: | 2.8428 |
| logSw: | -3.4102 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 120.131 |
| InChI Key: | VWLGNOCYVBRSNV-UHFFFAOYSA-N |