2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E793-0395 |
| Compound Name: | 2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3ccsc3C2=O)SCC(N2CCOc3ccc(C)cc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0579 |
| logD: | 5.0579 |
| logSw: | -4.6833 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.798 |
| InChI Key: | VKEQPYGQEPRSQK-UHFFFAOYSA-N |