2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0511 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-{[4-(propan-2-yl)phenyl]methyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C28 H25 N3 O S2 |
| Smiles: | CC(C)c1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCc2ccc(C=C)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9091 |
| logD: | 6.9091 |
| logSw: | -5.8539 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.672 |
| InChI Key: | GXEWQZFLVKJRDR-UHFFFAOYSA-N |