3-cyclopropyl-N-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
3-cyclopropyl-N-[(4-methylphenyl)methyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S584-0333 |
| Compound Name: | 3-cyclopropyl-N-[(4-methylphenyl)methyl]-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: | Cc1ccc(CNC(N2CCc3nnc(C4CC4)n3CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7301 |
| logD: | 1.6395 |
| logSw: | -2.055 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.385 |
| InChI Key: | BYNIWHVWTUZABV-UHFFFAOYSA-N |