4-(4-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(4-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(4-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 6280-0566 |
| Compound Name: | 4-(4-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 553.7 |
| Molecular Formula: | C27 H31 N5 O4 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(c4ccc(C)cc4)c4nnc(n4c3sc2CO1)SC(C)C(N1CCOCC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1396 |
| logD: | 4.1396 |
| logSw: | -4.2914 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.253 |
| InChI Key: | SIQKUFFXLJMGAJ-UHFFFAOYSA-N |