8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | C676-0194 |
Compound Name: | 8-methoxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 479.56 |
Molecular Formula: | C24 H25 N5 O4 S |
Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2883 |
logD: | 2.2878 |
logSw: | -3.0298 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.017 |
InChI Key: | XMZGZXDFOBNIGI-UHFFFAOYSA-N |