6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D491-4242 |
| Compound Name: | 6-chloro-2-{4-[2-(pyridin-4-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | C(CN1CCN(CC1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 2.335 |
| logD: | 2.3188 |
| logSw: | -3.4813 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.652 |
| InChI Key: | HQZLBBMXOGJACM-UHFFFAOYSA-N |