1-[3-(7-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(7-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]ethan-1-one
1-[3-(7-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S841-0088 |
| Compound Name: | 1-[3-(7-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C19 H25 N5 O |
| Smiles: | CC(N1CCC(C1)c1nnc2CCN(CCn12)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0335 |
| logD: | 0.9321 |
| logSw: | -1.6769 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.49 |
| InChI Key: | MYRBAQGUEMDKBS-QGZVFWFLSA-N |