3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C661-0071 |
| Compound Name: | 3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COc1ccc(CNC(CCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3399 |
| logD: | 2.3398 |
| logSw: | -2.9759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.814 |
| InChI Key: | BCWLVEOZXKVCIM-UHFFFAOYSA-N |