2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C676-0137 |
| Compound Name: | 2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc(CCNC(CN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3966 |
| logD: | 2.3965 |
| logSw: | -2.9646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.133 |
| InChI Key: | XXQSSHCGPDVILJ-UHFFFAOYSA-N |