2-(2-methylpropyl)-7-(thiophene-2-sulfonyl)-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-(2-methylpropyl)-7-(thiophene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methylpropyl)-7-(thiophene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-3471 |
| Compound Name: | 2-(2-methylpropyl)-7-(thiophene-2-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 356.46 |
| Molecular Formula: | C14 H20 N4 O3 S2 |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1799 |
| logD: | 2.1796 |
| logSw: | -2.3705 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.325 |
| InChI Key: | ZTDPETXLENAPAG-UHFFFAOYSA-N |