6,8-dichloro-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6,8-dichloro-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
6,8-dichloro-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D491-4776 |
| Compound Name: | 6,8-dichloro-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one |
| Molecular Weight: | 432.3 |
| Molecular Formula: | C21 H19 Cl2 N3 O3 |
| Smiles: | C(CN1CCN(CC1)C(C1=CC(c2cc(cc(c2O1)[Cl])[Cl])=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.2137 |
| logD: | 3.203 |
| logSw: | -3.7816 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.451 |
| InChI Key: | IVTKDKJXIQGUFR-UHFFFAOYSA-N |