methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C074-0077 |
| Compound Name: | methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C24 H23 N3 O3 S |
| Smiles: | CCC(C(=O)OC)Sc1c2c(cn(c3ccccc3OC)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3671 |
| logD: | 5.3657 |
| logSw: | -5.4589 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.462 |
| InChI Key: | CCPGULAPWHKWQR-FQEVSTJZSA-N |