3-(4-chlorophenyl)-8-{[di(propan-2-yl)amino]methyl}-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(4-chlorophenyl)-8-{[di(propan-2-yl)amino]methyl}-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
3-(4-chlorophenyl)-8-{[di(propan-2-yl)amino]methyl}-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2712-5154 |
| Compound Name: | 3-(4-chlorophenyl)-8-{[di(propan-2-yl)amino]methyl}-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
| Molecular Weight: | 422.35 |
| Molecular Formula: | C22 H24 Cl N O3 |
| Salt: | HCl |
| Smiles: | CC(C)N(Cc1c(ccc2C(C(=COc12)c1ccc(cc1)[Cl])=O)O)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.0619 |
| logD: | 4.0087 |
| logSw: | -4.7807 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.455 |
| InChI Key: | NTRYRLYSHYWKST-UHFFFAOYSA-N |