2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-7-(methanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-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: | S636-1959 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(methanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C11 H18 N4 O3 S |
| Smiles: | CS(N1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5105 |
| logD: | 0.5056 |
| logSw: | -1.3222 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.322 |
| InChI Key: | XAKAABWFMMGFKB-UHFFFAOYSA-N |