3-cyclopropyl-7-(4-fluorobenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Chemical Structure Depiction of
3-cyclopropyl-7-(4-fluorobenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
3-cyclopropyl-7-(4-fluorobenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
Compound characteristics
| Compound ID: | S584-0347 |
| Compound Name: | 3-cyclopropyl-7-(4-fluorobenzene-1-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C15 H17 F N4 O2 S |
| Smiles: | C1CN(CCn2c1nnc2C1CC1)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7522 |
| logD: | 1.6635 |
| logSw: | -2.404 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.305 |
| InChI Key: | IEBSHRYTTLAJHQ-UHFFFAOYSA-N |