2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C200-8005 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-ethoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 468.02 |
| Molecular Formula: | C25 H26 Cl N3 O2 S |
| Smiles: | CCOCCCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0023 |
| logD: | 5.0023 |
| logSw: | -5.1056 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.172 |
| InChI Key: | XFLWYRZOLJVCBL-UHFFFAOYSA-N |