7-(3-methylthiophene-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-(3-methylthiophene-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(3-methylthiophene-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: | S636-0037 |
| Compound Name: | 7-(3-methylthiophene-2-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: | Cc1ccsc1C(N1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3287 |
| logD: | 1.3222 |
| logSw: | -2.1384 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.592 |
| InChI Key: | ODWQLOOKBHJCET-UHFFFAOYSA-N |