4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0266-0179 |
| Compound Name: | 4-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C17 H22 N4 O4 |
| Smiles: | CN1CCN(CCCNC2=C(C(=O)Oc3ccccc23)[N+]([O-])=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.7625 |
| logD: | -0.4301 |
| logSw: | -2.1412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.194 |
| InChI Key: | JKTMNPGWRZOVJZ-UHFFFAOYSA-N |