1-(2-{7-[(thiophen-2-yl)acetyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}piperidin-1-yl)propan-1-one
Chemical Structure Depiction of
1-(2-{7-[(thiophen-2-yl)acetyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}piperidin-1-yl)propan-1-one
1-(2-{7-[(thiophen-2-yl)acetyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}piperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S923-0890 |
| Compound Name: | 1-(2-{7-[(thiophen-2-yl)acetyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}piperidin-1-yl)propan-1-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)C(Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1126 |
| logD: | 1.1125 |
| logSw: | -2.1315 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.296 |
| InChI Key: | ZRHVJVQLZUWZHV-INIZCTEOSA-N |