2-benzyl-7-(5-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
2-benzyl-7-(5-methylthiophene-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(5-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: | S636-3036 |
| Compound Name: | 2-benzyl-7-(5-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: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | Cc1ccc(C(N2CCC3=NN(Cc4ccccc4)C(N3CC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1999 |
| logD: | 3.1999 |
| logSw: | -3.144 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.99 |
| InChI Key: | FQELXBMSRFKCDJ-UHFFFAOYSA-N |