N-(butan-2-yl)-3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
N-(butan-2-yl)-3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S905-0593 |
| Compound Name: | N-(butan-2-yl)-3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C17 H30 N6 O3 S |
| Smiles: | CCC(C)NC(N1CCc2nnc(C3CCN(CC3)S(C)(=O)=O)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3397 |
| logD: | 0.3373 |
| logSw: | -1.8583 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.05 |
| InChI Key: | ZRNAPTZOTJDZJI-ZDUSSCGKSA-N |