N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C200-2317 |
| Compound Name: | N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(CN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4149 |
| logD: | 4.4147 |
| logSw: | -4.2546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.035 |
| InChI Key: | QYMOHCWUWWPMMW-UHFFFAOYSA-N |