4-(3-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(3-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(3-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 6280-0732 |
| Compound Name: | 4-(3-methylphenyl)-1-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 509.65 |
| Molecular Formula: | C25 H27 N5 O3 S2 |
| Smiles: | CC(C(N1CCOCC1)=O)Sc1nnc2N(C(c3c4CCCCc4sc3n12)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8973 |
| logD: | 3.8973 |
| logSw: | -4.1597 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.901 |
| InChI Key: | XTWHPPYQCVYUIA-INIZCTEOSA-N |