2-benzyl-7-(thiophene-3-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-(thiophene-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(thiophene-3-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: | S636-3064 |
| Compound Name: | 2-benzyl-7-(thiophene-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(c1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2422 |
| logD: | 2.2422 |
| logSw: | -2.4097 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.99 |
| InChI Key: | VBKSFZBXNYGPNU-UHFFFAOYSA-N |