N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6126 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 559.09 |
| Molecular Formula: | C30 H27 Cl N4 O3 S |
| Smiles: | CCc1ccc(cc1)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1336 |
| logD: | 6.1335 |
| logSw: | -6.0037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.113 |
| InChI Key: | VQUMTDYOXUALNV-UHFFFAOYSA-N |