2-benzyl-7-(methanesulfonyl)-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-(methanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(methanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3282 |
| Compound Name: | 2-benzyl-7-(methanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C14 H18 N4 O3 S |
| Smiles: | CS(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.147 |
| logD: | 1.147 |
| logSw: | -2.0951 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.799 |
| InChI Key: | JLLNILRJQOCWNG-UHFFFAOYSA-N |