benzyl [5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate
Chemical Structure Depiction of
benzyl [5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate
benzyl [5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate
Compound characteristics
| Compound ID: | V020-1731 |
| Compound Name: | benzyl [5-methyl-2-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]carbamate |
| Molecular Weight: | 497.52 |
| Molecular Formula: | C27 H26 F3 N3 O3 |
| Smiles: | Cc1ccc(c(c1)NC(=O)OCc1ccccc1)N1CCCN(Cc2ccc(cc2)C(F)(F)F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 6.1685 |
| logD: | 6.1682 |
| logSw: | -5.4836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.346 |
| InChI Key: | DECXMCGNFLMQTP-UHFFFAOYSA-N |