2-methyl-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
2-methyl-7-(thian-4-yl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-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: | S636-0986 |
| Compound Name: | 2-methyl-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: | 268.38 |
| Molecular Formula: | C12 H20 N4 O S |
| Smiles: | CN1C(N2CCN(CCC2=N1)C1CCSCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9869 |
| logD: | -1.341 |
| logSw: | -1.3864 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.56 |
| InChI Key: | CBJWVYGLTXDSSU-UHFFFAOYSA-N |