methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-3670 |
| Compound Name: | methyl 3-({[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate |
| Molecular Weight: | 588.08 |
| Molecular Formula: | C27 H23 Cl F N3 O5 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCc1cc(ccc1OC)C(=O)OC)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9148 |
| logD: | 4.9148 |
| logSw: | -5.317 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.916 |
| InChI Key: | SJVKACVCMQOGDA-UHFFFAOYSA-N |