7-methyl-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-methyl-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
7-methyl-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0129 |
| Compound Name: | 7-methyl-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C23 H23 N3 O5 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(c3ccc(C)c(c3)[N+]([O-])=O)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8733 |
| logD: | 2.8721 |
| logSw: | -3.4241 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.915 |
| InChI Key: | UMNQNRUUGMFJSD-UHFFFAOYSA-N |