7-acetyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | G641-0039 |
Compound Name: | 7-acetyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 546.67 |
Molecular Formula: | C28 H26 N4 O4 S2 |
Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(N1CCOc2ccc(C)cc12)=O)c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6335 |
logD: | 3.6335 |
logSw: | -4.1571 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 65.12 |
InChI Key: | RQDHFTLJDFIQQK-UHFFFAOYSA-N |