N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)thiophene-2-carboxamide
N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V029-0235 |
| Compound Name: | N-(4-{3-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C22 H19 Cl F N3 O2 S |
| Smiles: | C1CN(Cc2cccc(c2F)[Cl])C(N(C1)c1ccc(cc1)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2434 |
| logD: | 5.2434 |
| logSw: | -5.6698 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.907 |
| InChI Key: | CFIPPSJVXPWNDN-UHFFFAOYSA-N |