3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E793-2465 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C25 H21 N3 O5 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5057 |
| logD: | 4.5057 |
| logSw: | -4.345 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.913 |
| InChI Key: | AEULIZGANHEODJ-UHFFFAOYSA-N |