6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide
Chemical Structure Depiction of
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide
Compound characteristics
Compound ID: | C659-0071 |
Compound Name: | 6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide |
Molecular Weight: | 430.57 |
Molecular Formula: | C22 H30 N4 O3 S |
Smiles: | CC(C)CCNC(CCCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.982 |
logD: | 2.9819 |
logSw: | -3.4114 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 67.383 |
InChI Key: | VCQWKEOJPSZDHG-UHFFFAOYSA-N |