benzyl (2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)carbamate
Chemical Structure Depiction of
benzyl (2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)carbamate
benzyl (2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)carbamate
Compound characteristics
| Compound ID: | V020-4603 |
| Compound Name: | benzyl (2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)carbamate |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C26 H25 F2 N3 O3 |
| Smiles: | Cc1ccc(c(c1)NC(=O)OCc1ccccc1)N1CCCN(Cc2ccc(c(c2)F)F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.5212 |
| logD: | 5.5209 |
| logSw: | -5.317 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.346 |
| InChI Key: | NPBOLDWVGACBHS-UHFFFAOYSA-N |