N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
Compound characteristics
| Compound ID: | J077-1197 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-3-{3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide |
| Molecular Weight: | 497.95 |
| Molecular Formula: | C26 H25 Cl F N3 O4 |
| Smiles: | COc1cc(c(cc1NC(c1cccc(c1)N1CCCN(Cc2ccc(cc2)F)C1=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.8632 |
| logD: | 4.8037 |
| logSw: | -5.0417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.451 |
| InChI Key: | XBDKCHHAVCPODF-UHFFFAOYSA-N |