2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-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-(2-methoxyethyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L105-0333 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyethyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C23 H22 Cl N3 O2 S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(CCOC)C(=N2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3253 |
| logD: | 4.3253 |
| logSw: | -4.7339 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.537 |
| InChI Key: | JXWUWBWABSUEGM-UHFFFAOYSA-N |