methyl 5-({[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | G856-0972 |
| Compound Name: | methyl 5-({[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1426 |
| logD: | 5.1426 |
| logSw: | -5.2516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.133 |
| InChI Key: | PXJOIDBETWPAHN-UHFFFAOYSA-N |