ethyl 4-[(6-chloro-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(6-chloro-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxylate
ethyl 4-[(6-chloro-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | Y041-3916 |
| Compound Name: | ethyl 4-[(6-chloro-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxylate |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C17 H19 Cl N2 O4 |
| Smiles: | CCOC(N1CCN(CC1)CC1=CC(=O)Oc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4248 |
| logD: | 2.4222 |
| logSw: | -3.4442 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.158 |
| InChI Key: | VONSKKTWEXGWOD-UHFFFAOYSA-N |