3-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]benzoic acid
Chemical Structure Depiction of
3-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]benzoic acid
3-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | S841-0150 |
| Compound Name: | 3-[3-(1-benzoylpyrrolidin-3-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]benzoic acid |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | C1CN(CC1c1nnc2CCN(CCn12)C(c1cccc(c1)C(O)=O)=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3589 |
| logD: | -2.402 |
| logSw: | -1.8143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.075 |
| InChI Key: | VJEIZBHJCPDOBF-FQEVSTJZSA-N |