2-benzyl-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-benzyl-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-benzyl-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: | S636-3263 |
| Compound Name: | 2-benzyl-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: | 344.48 |
| Molecular Formula: | C18 H24 N4 O S |
| Smiles: | C1CSCCC1N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5621 |
| logD: | 0.2343 |
| logSw: | -2.528 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.609 |
| InChI Key: | YBNWRMCUMAFMFF-UHFFFAOYSA-N |