N-(3-chlorophenyl)-4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxamide--hydrogen chloride (1/1)
N-(3-chlorophenyl)-4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D222-0207 |
| Compound Name: | N-(3-chlorophenyl)-4-[(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazine-1-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 464.35 |
| Molecular Formula: | C22 H22 Cl N3 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(Nc1cccc(c1)[Cl])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.2267 |
| logD: | 3.2102 |
| logSw: | -3.7257 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.199 |
| InChI Key: | NKBFROICXVTPBW-UHFFFAOYSA-N |