N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | V012-5600 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(4-nitrobenzene-1-sulfonyl)glycinamide |
| Molecular Weight: | 589.73 |
| Molecular Formula: | C28 H35 N3 O7 S2 |
| Smiles: | CC(C)CN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1c(C)ccs1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0258 |
| logD: | 5.0258 |
| logSw: | -4.7162 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.937 |
| InChI Key: | ITJIHNSMRNMDNT-UHFFFAOYSA-N |