3-{3-[1-(3-carboxybenzoyl)pyrrolidin-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-(3-carboxybenzoyl)pyrrolidin-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-(3-carboxybenzoyl)pyrrolidin-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: | S841-0151 |
| Compound Name: | 3-{3-[1-(3-carboxybenzoyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl}benzoic acid |
| Molecular Weight: | 503.51 |
| Molecular Formula: | C26 H25 N5 O6 |
| Smiles: | C1CN(CC1c1nnc2CCN(CCn12)C(c1cccc(c1)C(O)=O)=O)C(c1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.264 |
| logD: | -2.4968 |
| logSw: | -1.6916 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.483 |
| InChI Key: | FKVYEMOSINHQKV-FQEVSTJZSA-N |