3-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
Compound ID: | V003-1419 |
Compound Name: | 3-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
Molecular Weight: | 551.04 |
Molecular Formula: | C29 H31 Cl N4 O5 |
Salt: | not_available |
Smiles: | COc1ccc(CCNC(C2Cc3cc(ccc3N3CCN(CC23)c2cc(ccc2OC)[Cl])[N+]([O-])=O)=O)cc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.7632 |
logD: | 4.763 |
logSw: | -4.9501 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.313 |
InChI Key: | BAALNHIKAJHSTM-UHFFFAOYSA-N |