N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V030-0600 |
| Compound Name: | N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide |
| Molecular Weight: | 459.49 |
| Molecular Formula: | C23 H20 F3 N3 O2 S |
| Smiles: | C1CN(Cc2cccc(c2)C(F)(F)F)C(N(C1)c1cccc(c1)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1284 |
| logD: | 5.1283 |
| logSw: | -5.4564 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.907 |
| InChI Key: | HFWKPRATDBOHIE-UHFFFAOYSA-N |