N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-N'-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-N'-(prop-2-en-1-yl)urea
N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-N'-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V028-5057 |
| Compound Name: | N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-N'-(prop-2-en-1-yl)urea |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C22 H24 Cl F N4 O2 |
| Smiles: | Cc1ccc(c(c1)NC(NCC=C)=O)N1CCCN(Cc2cc(ccc2[Cl])F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.3899 |
| logD: | 4.3899 |
| logSw: | -4.4575 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.536 |
| InChI Key: | AGXUXJSECMLBNW-UHFFFAOYSA-N |