7-(isoquinoline-1-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
7-(isoquinoline-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(isoquinoline-1-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: | S636-0083 |
| Compound Name: | 7-(isoquinoline-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 309.33 |
| Molecular Formula: | C16 H15 N5 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.129 |
| logD: | 1.1226 |
| logSw: | -2.2412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.12 |
| InChI Key: | TZDJSFVNCJXKJT-UHFFFAOYSA-N |