7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-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-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0117 |
| Compound Name: | 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C12 H15 N5 O2 S |
| Smiles: | Cc1c(C(N2CCC3=NNC(N3CC2)=O)=O)sc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.8508 |
| logD: | 0.8443 |
| logSw: | -1.6759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.962 |
| InChI Key: | SDWHTDBAZBOKFB-UHFFFAOYSA-N |