N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | 8510-0282 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 462.89 |
| Molecular Formula: | C24 H19 Cl N4 O4 |
| Smiles: | C1CCN(C1)c1ccc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2ccccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7163 |
| logD: | 5.6967 |
| logSw: | -5.8922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.738 |
| InChI Key: | MIDGDZVMZDIHHH-UHFFFAOYSA-N |