3-[(2-ethoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2-ethoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2-ethoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0530 |
| Compound Name: | 3-[(2-ethoxyphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C25 H20 N4 O4 S2 |
| Smiles: | CCOc1ccccc1CN1C(=Nc2c3cccnc3sc2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2423 |
| logD: | 5.2423 |
| logSw: | -5.2255 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.263 |
| InChI Key: | KTJYOSMAHBQBDP-UHFFFAOYSA-N |