7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D060-0145 |
| Compound Name: | 7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C17 H22 N2 O4 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2CN1CCN(CC1)CCO)O |
| Stereo: | ACHIRAL |
| logP: | 0.9311 |
| logD: | 0.6525 |
| logSw: | -2.194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.057 |
| InChI Key: | SCTSSAKKVILHNG-UHFFFAOYSA-N |