ethyl {[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
ethyl {[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | G856-0974 |
| Compound Name: | ethyl {[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCOC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2943 |
| logD: | 4.2943 |
| logSw: | -4.2349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.548 |
| InChI Key: | ZWRXMOOADNBXNG-UHFFFAOYSA-N |