3-(4-benzylpiperazine-1-carbonyl)-6,8-dichloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-benzylpiperazine-1-carbonyl)-6,8-dichloro-2H-1-benzopyran-2-one
3-(4-benzylpiperazine-1-carbonyl)-6,8-dichloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8014-1114 |
| Compound Name: | 3-(4-benzylpiperazine-1-carbonyl)-6,8-dichloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 417.29 |
| Molecular Formula: | C21 H18 Cl2 N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(C1=Cc2cc(cc(c2OC1=O)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7709 |
| logD: | 3.7502 |
| logSw: | -4.2512 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.033 |
| InChI Key: | QRXSMQGKZYZGNU-UHFFFAOYSA-N |