2-(2-methylpropyl)-7-(quinoline-8-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-(quinoline-8-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-(quinoline-8-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: | CM4193-3595 |
| Compound Name: | 2-(2-methylpropyl)-7-(quinoline-8-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)S(c1cccc2cccnc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.298 |
| logD: | 2.2977 |
| logSw: | -2.4523 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.839 |
| InChI Key: | LTEMKUSOCCLXTK-UHFFFAOYSA-N |