1-[3-(7-ethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[3-(7-ethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
1-[3-(7-ethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S841-0005 |
| Compound Name: | 1-[3-(7-ethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 305.42 |
| Molecular Formula: | C16 H27 N5 O |
| Smiles: | CCN1CCc2nnc(C3CCN(C3)C(C(C)C)=O)n2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7988 |
| logD: | 0.1323 |
| logSw: | -0.4649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.019 |
| InChI Key: | BKTMHMHYCUCPPT-ZDUSSCGKSA-N |