N-(3-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
N-(3-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide
Compound characteristics
Compound ID: | V030-0425 |
Compound Name: | N-(3-methoxyphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-a]quinoline-5-carboxamide |
Molecular Weight: | 381.43 |
Molecular Formula: | C21 H23 N3 O4 |
Smiles: | COc1cccc(c1)NC(C1Cc2cc(ccc2N2CCCCC12)[N+]([O-])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.6784 |
logD: | 3.6779 |
logSw: | -3.9472 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.626 |
InChI Key: | IUPDTHUXNGINNN-UHFFFAOYSA-N |