7-(phenylmethanesulfonyl)-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-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0465 |
| Compound Name: | 7-(phenylmethanesulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 308.36 |
| Molecular Formula: | C13 H16 N4 O3 S |
| Smiles: | C1CN(CCN2C1=NNC2=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8301 |
| logD: | 0.8237 |
| logSw: | -2.1662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.53 |
| InChI Key: | NUWABFVLLXQEMJ-UHFFFAOYSA-N |