3-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
Chemical Structure Depiction of
3-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
3-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
Compound characteristics
| Compound ID: | C074-0079 |
| Compound Name: | 3-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | CC(C(C)=O)Sc1c2c(cn(c3ccccc3OC)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8672 |
| logD: | 4.8657 |
| logSw: | -4.7696 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.114 |
| InChI Key: | ZMNSHCLMVUOYMW-INIZCTEOSA-N |