3-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidine-1-carbonyl)benzoic acid
Chemical Structure Depiction of
3-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidine-1-carbonyl)benzoic acid
3-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidine-1-carbonyl)benzoic acid
Compound characteristics
| Compound ID: | S841-0123 |
| Compound Name: | 3-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidine-1-carbonyl)benzoic acid |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C24 H26 N6 O3 |
| Smiles: | C1CN(CC1c1nnc2CCN(CCn12)Cc1cccnc1)C(c1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8075 |
| logD: | -2.9533 |
| logSw: | -0.8365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.677 |
| InChI Key: | DNQGTXHCTXMADO-HXUWFJFHSA-N |