7-(benzenesulfonyl)-3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Chemical Structure Depiction of
7-(benzenesulfonyl)-3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
7-(benzenesulfonyl)-3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Compound characteristics
| Compound ID: | S584-0345 |
| Compound Name: | 7-(benzenesulfonyl)-3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine |
| Molecular Weight: | 318.4 |
| Molecular Formula: | C15 H18 N4 O2 S |
| Smiles: | C1CN(CCn2c1nnc2C1CC1)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5381 |
| logD: | 1.4494 |
| logSw: | -2.1115 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.305 |
| InChI Key: | YKFOIETZUPZQFA-UHFFFAOYSA-N |