N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 7916-0722 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 463.9 |
| Molecular Formula: | C23 H14 Cl N3 O4 S |
| Smiles: | Cc1c(cccc1NC(c1c(c2cccc(c2s1)[N+]([O-])=O)[Cl])=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 6.5133 |
| logD: | 6.5132 |
| logSw: | -6.3111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.27 |
| InChI Key: | AZYNXEGNEYGVFT-UHFFFAOYSA-N |