7-(5-chlorothiophene-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
7-(5-chlorothiophene-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(5-chlorothiophene-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: | S636-0135 |
| Compound Name: | 7-(5-chlorothiophene-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 298.75 |
| Molecular Formula: | C11 H11 Cl N4 O2 S |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(c1ccc(s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7096 |
| logD: | 1.7031 |
| logSw: | -2.7208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.592 |
| InChI Key: | AGFFUNDZIDRGQH-UHFFFAOYSA-N |