[4-(3,5-dinitrobenzoyl)piperazin-1-yl][1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[4-(3,5-dinitrobenzoyl)piperazin-1-yl][1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]methanone
[4-(3,5-dinitrobenzoyl)piperazin-1-yl][1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]methanone
Compound characteristics
Compound ID: | V016-5896 |
Compound Name: | [4-(3,5-dinitrobenzoyl)piperazin-1-yl][1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]methanone |
Molecular Weight: | 599.6 |
Molecular Formula: | C31 H29 N5 O8 |
Smiles: | Cc1c(cc(c2ccc(cc2)OC)n1c1cccc(c1)OC)C(N1CCN(CC1)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.775 |
logD: | 4.775 |
logSw: | -4.5991 |
Hydrogen bond acceptors count: | 14 |
Polar surface area: | 116.616 |
InChI Key: | RGVLOFJRHICSTJ-UHFFFAOYSA-N |