2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F396-0684 |
| Compound Name: | 2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H24 N4 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=Nc2c3cccnc3sc2C(N1CC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3426 |
| logD: | 3.3426 |
| logSw: | -3.504 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.334 |
| InChI Key: | XNJMBSXKCHZZHW-MRXNPFEDSA-N |