N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | 8495-0592 |
| Compound Name: | N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C25 H22 N4 O5 |
| Smiles: | COc1ccc(cc1NC(c1ccc(c(c1)[N+]([O-])=O)N1CCCC1)=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9837 |
| logD: | 4.9749 |
| logSw: | -4.7777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.671 |
| InChI Key: | IVMGWRDIZNXJLL-UHFFFAOYSA-N |