N-(butan-2-yl)-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitrobenzamide
N-(butan-2-yl)-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-8676 |
| Compound Name: | N-(butan-2-yl)-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitrobenzamide |
| Molecular Weight: | 553.68 |
| Molecular Formula: | C29 H35 N3 O6 S |
| Smiles: | CCC(C)N(CC(N(CCc1ccc(c(c1)OC)OC)Cc1ccc(C)s1)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0696 |
| logD: | 5.0696 |
| logSw: | -4.8025 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.101 |
| InChI Key: | YJXCMJOISQPAHJ-FQEVSTJZSA-N |