6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0089 |
| Compound Name: | 6-chloro-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 322.79 |
| Molecular Formula: | C16 H19 Cl N2 O3 |
| Smiles: | CC1=CC(=O)Oc2c1cc(c(c2CN1CCN(C)CC1)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4721 |
| logD: | 1.6731 |
| logSw: | -3.3376 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.018 |
| InChI Key: | MRRIFYRIMPPXSU-UHFFFAOYSA-N |