methyl [2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-1H-imidazol-1-yl]acetate
Chemical Structure Depiction of
methyl [2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-1H-imidazol-1-yl]acetate
methyl [2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-1H-imidazol-1-yl]acetate
Compound characteristics
| Compound ID: | 3618-0371 |
| Compound Name: | methyl [2-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-1H-imidazol-1-yl]acetate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C18 H22 N4 O5 S |
| Smiles: | CC(C)(C)NC(CSc1nc(cn1CC(=O)OC)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9611 |
| logD: | 2.9563 |
| logSw: | -3.348 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.047 |
| InChI Key: | OGDBFUNTEZLLPN-UHFFFAOYSA-N |