N-(2,5-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2,5-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-0944 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C28 H26 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1244 |
| logD: | 5.1244 |
| logSw: | -5.1559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.569 |
| InChI Key: | KTCUFHSCVAVKRA-UHFFFAOYSA-N |