1-[3-(7-benzoyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-3-hydroxypropan-1-one
Chemical Structure Depiction of
1-[3-(7-benzoyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-3-hydroxypropan-1-one
1-[3-(7-benzoyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-3-hydroxypropan-1-one
Compound characteristics
| Compound ID: | S841-0132 |
| Compound Name: | 1-[3-(7-benzoyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]-3-hydroxypropan-1-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | C1CN(CC1c1nnc2CCN(CCn12)C(c1ccccc1)=O)C(CCO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.7335 |
| logD: | -0.7344 |
| logSw: | -1.2559 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.066 |
| InChI Key: | PWBVZYNIHAFOKI-INIZCTEOSA-N |