3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | C301-1076 |
| Compound Name: | 3-[2-(4-chlorophenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 531.95 |
| Molecular Formula: | C27 H22 Cl N5 O5 |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(/C(=C/C(c1ccc(cc1)[Cl])=O)N2)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1176 |
| logD: | 3.9804 |
| logSw: | -4.6517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.641 |
| InChI Key: | AAHYHTCVBPDTJH-UHFFFAOYSA-N |