3-cyclopropyl-N-(4-methoxyphenyl)-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-methoxyphenyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
3-cyclopropyl-N-(4-methoxyphenyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S584-0344 |
| Compound Name: | 3-cyclopropyl-N-(4-methoxyphenyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C17 H21 N5 O2 |
| Smiles: | COc1ccc(cc1)NC(N1CCc2nnc(C3CC3)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6616 |
| logD: | 1.571 |
| logSw: | -2.0825 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.607 |
| InChI Key: | YOEZUMNWHCSMDF-UHFFFAOYSA-N |