6-methoxy-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-methoxy-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0095 |
| Compound Name: | 6-methoxy-4-{[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C23 H23 N3 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)CC1=CC(=O)Oc2ccc(cc12)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3769 |
| logD: | 2.3763 |
| logSw: | -3.0653 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.459 |
| InChI Key: | AZFPUDTTYNSKBU-UHFFFAOYSA-N |