2-methyl-1-{3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one
2-methyl-1-{3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one
Compound characteristics
| Compound ID: | S841-0061 |
| Compound Name: | 2-methyl-1-{3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C18 H29 N5 O2 |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(C3)C(C(C)C)=O)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9467 |
| logD: | 0.9443 |
| logSw: | -0.755 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.21 |
| InChI Key: | IDDWYVUSCQGPBS-AWEZNQCLSA-N |