4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C301-3604 |
| Compound Name: | 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 437.97 |
| Molecular Formula: | C25 H28 Cl N3 O2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C1=C(CN2CCCC2)C(=O)Oc2ccccc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1297 |
| logD: | 3.3841 |
| logSw: | -5.3665 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.5887 |
| InChI Key: | ZHBAQKDSBIMBQA-UHFFFAOYSA-N |