6-methoxy-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-methoxy-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0441 |
| Compound Name: | 6-methoxy-4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.0041 |
| logD: | 2.999 |
| logSw: | -3.4992 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.564 |
| InChI Key: | KCMQZTHFYCWTFK-UHFFFAOYSA-N |