5-methyl-12-oxo-N-(3,4,5-trimethoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-methyl-12-oxo-N-(3,4,5-trimethoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-methyl-12-oxo-N-(3,4,5-trimethoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0234 |
Compound Name: | 5-methyl-12-oxo-N-(3,4,5-trimethoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 439.51 |
Molecular Formula: | C24 H29 N3 O5 |
Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1cc(c(c(c1)OC)OC)OC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6311 |
logD: | 2.6306 |
logSw: | -3.3365 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.688 |
InChI Key: | HITUXCHLXNNFOF-NRFANRHFSA-N |