3-(3-chloro-4-fluorophenyl)-2-({[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,5,7,8,9,10-hexahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-2-({[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,5,7,8,9,10-hexahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
3-(3-chloro-4-fluorophenyl)-2-({[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,5,7,8,9,10-hexahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C798-0633 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-2-({[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3,5,7,8,9,10-hexahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 607.13 |
| Molecular Formula: | C30 H24 Cl F N4 O3 S2 |
| Smiles: | Cc1c(CSC2=Nc3c4c5CCCCc5sc4[nH]c3C(N2c2ccc(c(c2)[Cl])F)=O)nc(c2ccccc2OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.7987 |
| logD: | 6.7987 |
| logSw: | -6.2829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.181 |
| InChI Key: | VUEZWEDFGVBOLH-UHFFFAOYSA-N |