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 |