7-(thian-4-yl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(thian-4-yl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(thian-4-yl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0454 |
| Compound Name: | 7-(thian-4-yl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 254.35 |
| Molecular Formula: | C11 H18 N4 O S |
| Smiles: | C1CSCCC1N1CCC2=NNC(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9609 |
| logD: | -0.6587 |
| logSw: | -1.8743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.211 |
| InChI Key: | IAEXPKMPUIEUHY-UHFFFAOYSA-N |