3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0170 |
| Compound Name: | 3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 494.43 |
| Molecular Formula: | C23 H16 Br N3 O S2 |
| Smiles: | C(c1ccccc1)N1C(=Nc2c3cccnc3sc2C1=O)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8104 |
| logD: | 5.8104 |
| logSw: | -6.0577 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.672 |
| InChI Key: | YCTDMOVTUBGCDQ-UHFFFAOYSA-N |