3-cyclopropyl-N-(3-methylphenyl)-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-(3-methylphenyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
3-cyclopropyl-N-(3-methylphenyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S584-0343 |
| Compound Name: | 3-cyclopropyl-N-(3-methylphenyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C17 H21 N5 O |
| Smiles: | Cc1cccc(c1)NC(N1CCc2nnc(C3CC3)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0392 |
| logD: | 1.9485 |
| logSw: | -2.7106 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.063 |
| InChI Key: | RXUJQKWVHABMBZ-UHFFFAOYSA-N |