3-cyclopropyl-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
3-cyclopropyl-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
3-cyclopropyl-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S584-0335 |
| Compound Name: | 3-cyclopropyl-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C18 H23 N5 O |
| Smiles: | C(CNC(N1CCc2nnc(C3CC3)n2CC1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7233 |
| logD: | 1.6326 |
| logSw: | -1.8304 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.226 |
| InChI Key: | PDQDOMGRNVNNNQ-UHFFFAOYSA-N |