2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-1040 |
| Compound Name: | 2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4537 |
| logD: | 4.4537 |
| logSw: | -4.3106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.811 |
| InChI Key: | TUIITHKVNAVNPB-UHFFFAOYSA-N |