N-(3,4-dimethylphenyl)-3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
N-(3,4-dimethylphenyl)-3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S923-0567 |
| Compound Name: | N-(3,4-dimethylphenyl)-3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C21 H30 N6 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(N1CCc2nnc(C3CCCCN3S(C)(=O)=O)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0097 |
| logD: | 1.9856 |
| logSw: | -2.6833 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.485 |
| InChI Key: | OTKJXVMGMQFHTM-SFHVURJKSA-N |