3-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
3-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 7888-0319 |
| Compound Name: | 3-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 463.9 |
| Molecular Formula: | C23 H14 Cl N3 O4 S |
| Smiles: | Cc1ccc2c(c1)nc(c1cccc(c1)NC(c1c(c3cccc(c3s1)[N+]([O-])=O)[Cl])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.6573 |
| logD: | 6.6572 |
| logSw: | -6.5704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.967 |
| InChI Key: | YPTIEFMKXZIMKO-UHFFFAOYSA-N |