6-chloro-4-ethyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-ethyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-4-ethyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0140 |
| Compound Name: | 6-chloro-4-ethyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 336.82 |
| Molecular Formula: | C17 H21 Cl N2 O3 |
| Smiles: | CCC1=CC(=O)Oc2c1cc(c(c2CN1CCN(C)CC1)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8852 |
| logD: | 2.0863 |
| logSw: | -3.3886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.018 |
| InChI Key: | YAPZYAIBXBEIIS-UHFFFAOYSA-N |