2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F410-1230 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | Cc1ccc(C)c(CSC2NC(c3c(c(c[nH]3)c3ccccc3)N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1677 |
| logD: | 5.1664 |
| logSw: | -4.9503 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.994 |
| InChI Key: | LEDOALWHVYBXOK-UHFFFAOYSA-N |