N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(prop-2-en-1-yl)benzamide
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V003-9702 |
| Compound Name: | N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C29 H33 N3 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N(CC=C)CC(N(CCc1ccc(c(c1)OC)OC)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.427 |
| logD: | 4.427 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.45 |
| InChI Key: | RXRGUJYKQILBJE-UHFFFAOYSA-N |