2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C200-8003 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxypropyl)-5-methyl-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | Cn1cc(c2ccccc2)c2c1C(N(CCCOC)C(=N2)SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6983 |
| logD: | 4.6983 |
| logSw: | -4.2646 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.537 |
| InChI Key: | KIFUCOGWNFKDTL-UHFFFAOYSA-N |