6-chloro-7-methyl-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-chloro-7-methyl-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
6-chloro-7-methyl-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D491-4777 |
| Compound Name: | 6-chloro-7-methyl-2-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | Cc1cc2c(cc1[Cl])C(C=C(C(N1CCN(CCc3ccccn3)CC1)=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7015 |
| logD: | 3.6909 |
| logSw: | -4.1421 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.767 |
| InChI Key: | PDHQBBLBJNKMFC-UHFFFAOYSA-N |