2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Chemical Structure Depiction of
2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Compound characteristics
| Compound ID: | K412-0008 |
| Compound Name: | 2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C14 H12 F3 N3 O S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCc1cccc(c1)C(F)(F)F)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3862 |
| logD: | 3.3862 |
| logSw: | -3.7698 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.647 |
| InChI Key: | PGODAKDZXURGQN-UHFFFAOYSA-N |