N-[2-(2,4-dimethoxyphenyl)ethyl]-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-[2-(2,4-dimethoxyphenyl)ethyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-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: | C200-2857 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(c4c(c5cc(ccc5[nH]4)OC)NC3=S)=O)cc2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9294 |
| logD: | 3.9294 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.249 |
| InChI Key: | LECHKKVUWCRFJL-UHFFFAOYSA-N |