N-butyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-butyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-butyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
Compound ID: | C676-0054 |
Compound Name: | N-butyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
Molecular Weight: | 360.43 |
Molecular Formula: | C17 H20 N4 O3 S |
Smiles: | CCCCNC(CN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8522 |
logD: | 1.8521 |
logSw: | -2.774 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 67.404 |
InChI Key: | MLWNCJRXFQYASS-UHFFFAOYSA-N |