2-(2-methylpropyl)-7-(2,4,6-trimethylbenzene-1-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-(2,4,6-trimethylbenzene-1-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-(2,4,6-trimethylbenzene-1-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: | CM4193-3469 |
| Compound Name: | 2-(2-methylpropyl)-7-(2,4,6-trimethylbenzene-1-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C19 H28 N4 O3 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1c(C)cc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8472 |
| logD: | 3.8469 |
| logSw: | -3.7724 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.306 |
| InChI Key: | ARAIHQLQOFROFC-UHFFFAOYSA-N |