N-(4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-0886 |
| Compound Name: | N-(4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C26 H22 N4 O2 S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8947 |
| logD: | 4.8947 |
| logSw: | -4.781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.267 |
| InChI Key: | JBRFSFVKWVJOKN-UHFFFAOYSA-N |