6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | K250-0178 |
Compound Name: | 6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide |
Molecular Weight: | 571.7 |
Molecular Formula: | C31 H33 N5 O4 S |
Smiles: | CCCCNC(CSc1nc2cc(ccc2c2nc3ccccc3n12)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.694 |
logD: | 4.6936 |
logSw: | -4.5579 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.919 |
InChI Key: | FMMKRBZEQCJRAL-UHFFFAOYSA-N |