3-chloro-6-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-6-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}-1-benzothiophene-2-carboxamide
3-chloro-6-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8007-0955 |
| Compound Name: | 3-chloro-6-nitro-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 486.91 |
| Molecular Formula: | C20 H11 Cl N4 O5 S2 |
| Smiles: | c1ccnc(c1)Sc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8071 |
| logD: | 5.7985 |
| logSw: | -6.1377 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.977 |
| InChI Key: | ARVFTLBTUQEKDU-UHFFFAOYSA-N |