8-{[bis(2-methylpropyl)amino]methyl}-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
8-{[bis(2-methylpropyl)amino]methyl}-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
8-{[bis(2-methylpropyl)amino]methyl}-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2712-5153 |
| Compound Name: | 8-{[bis(2-methylpropyl)amino]methyl}-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
| Molecular Weight: | 450.4 |
| Molecular Formula: | C24 H28 Cl N O3 |
| Salt: | HCl |
| Smiles: | CC(C)CN(CC(C)C)Cc1c(ccc2C(C(=COc12)c1ccc(cc1)[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.9163 |
| logD: | 5.3971 |
| logSw: | -5.8635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.076 |
| InChI Key: | LNRMQNPXCIIECJ-UHFFFAOYSA-N |