8-methoxy-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C664-0171 |
| Compound Name: | 8-methoxy-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(N3CCC(=CC3)c3ccccc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.3768 |
| logD: | 3.3767 |
| logSw: | -3.8127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.919 |
| InChI Key: | AYUIAENMDKBTHP-UHFFFAOYSA-N |