N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | F019-0342 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H22 N4 O4 |
| Smiles: | Cc1c(cccc1NC(c1ccc(c(c1)[N+]([O-])=O)N1CCCC1)=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2799 |
| logD: | 5.2793 |
| logSw: | -5.1813 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.04 |
| InChI Key: | VTLHPBMZTZVHJC-UHFFFAOYSA-N |