1-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethan-1-one
1-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethan-1-one
Compound characteristics
| Compound ID: | S841-0052 |
| Compound Name: | 1-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethan-1-one |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | CC(N1CCc2nnc(C3CCN(C3)C(c3ccccc3)=O)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4097 |
| logD: | 0.4073 |
| logSw: | -1.4352 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.406 |
| InChI Key: | RLSITPDZGHLFGF-MRXNPFEDSA-N |