7-(4-tert-butylbenzene-1-sulfonyl)-2-(2-methylpropyl)-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-(4-tert-butylbenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(4-tert-butylbenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-3904 |
| Compound Name: | 7-(4-tert-butylbenzene-1-sulfonyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C20 H30 N4 O3 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3679 |
| logD: | 4.3676 |
| logSw: | -4.128 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.306 |
| InChI Key: | JCFWXDPRSFEZNL-UHFFFAOYSA-N |