4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K781-2376 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 478.36 |
| Molecular Formula: | C20 H20 Br N3 O4 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6974 |
| logD: | 3.6974 |
| logSw: | -4.2184 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.814 |
| InChI Key: | JGHLKBKAYQUYAK-UHFFFAOYSA-N |