2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | Y205-8190 |
| Compound Name: | 2-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 424.88 |
| Molecular Formula: | C16 H13 Cl N4 O4 S2 |
| Smiles: | Cc1c(C(N(C)C)=O)sc(NC(c2c(c3ccc(cc3s2)[N+]([O-])=O)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5574 |
| logD: | 2.9975 |
| logSw: | -4.417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.082 |
| InChI Key: | BAHXEMXNPFRTQD-UHFFFAOYSA-N |