2-methyl-7-[(thiophen-2-yl)acetyl]-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-[(thiophen-2-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-[(thiophen-2-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0578 |
| Compound Name: | 2-methyl-7-[(thiophen-2-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 292.36 |
| Molecular Formula: | C13 H16 N4 O2 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(Cc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.683 |
| logD: | 0.6829 |
| logSw: | -1.5516 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.414 |
| InChI Key: | PMDNBJXNLUNZKW-UHFFFAOYSA-N |