2-(4-benzylpiperidine-1-carbonyl)-6-chloro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-(4-benzylpiperidine-1-carbonyl)-6-chloro-4H-1-benzopyran-4-one
2-(4-benzylpiperidine-1-carbonyl)-6-chloro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D103-0227 |
| Compound Name: | 2-(4-benzylpiperidine-1-carbonyl)-6-chloro-4H-1-benzopyran-4-one |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C22 H20 Cl N O3 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0897 |
| logD: | 5.0897 |
| logSw: | -5.3644 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.434 |
| InChI Key: | DHVMTCSDMVYLJN-UHFFFAOYSA-N |