2-benzyl-7-(quinoline-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-benzyl-7-(quinoline-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(quinoline-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3050 |
| Compound Name: | 2-benzyl-7-(quinoline-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(c1ccc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1464 |
| logD: | 3.1464 |
| logSw: | -3.4532 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.303 |
| InChI Key: | CAFLFOHHEQDTMZ-UHFFFAOYSA-N |