1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,2,4-triazol-5-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,2,4-triazol-5-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,2,4-triazol-5-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-5551 |
| Compound Name: | 1,3,7-trimethyl-8-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-1,2,4-triazol-5-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C16 H20 N8 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ncnn2CC(N2CCOCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3729 |
| logD: | -0.3729 |
| logSw: | -1.1002 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.706 |
| InChI Key: | BZQLKTWWPSPVEU-UHFFFAOYSA-N |