2-methyl-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-methyl-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-methyl-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: | S636-0630 |
| Compound Name: | 2-methyl-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: | 278.33 |
| Molecular Formula: | C12 H14 N4 O2 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1ccsc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6669 |
| logD: | 0.6669 |
| logSw: | -1.5695 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.941 |
| InChI Key: | SEHAWYUKHISDMY-UHFFFAOYSA-N |