7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0156 |
| Compound Name: | 7-methyl-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5004 |
| logD: | 3.4912 |
| logSw: | -3.7928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.02 |
| InChI Key: | IZQQSMGQLJMMTM-UHFFFAOYSA-N |