2-{[(4-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
2-{[(4-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Compound characteristics
| Compound ID: | K412-0003 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one |
| Molecular Weight: | 309.38 |
| Molecular Formula: | C13 H12 F N3 O S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCc1ccc(cc1)F)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3809 |
| logD: | 2.3809 |
| logSw: | -2.4225 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.647 |
| InChI Key: | XYWDIJIXAPTIKF-UHFFFAOYSA-N |