methyl 3-{[1,3-dimethyl-6-(4-methylbenzene-1-sulfonyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]amino}-3-oxopropanoate
Chemical Structure Depiction of
methyl 3-{[1,3-dimethyl-6-(4-methylbenzene-1-sulfonyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]amino}-3-oxopropanoate
methyl 3-{[1,3-dimethyl-6-(4-methylbenzene-1-sulfonyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]amino}-3-oxopropanoate
Compound characteristics
| Compound ID: | L322-0355 |
| Compound Name: | methyl 3-{[1,3-dimethyl-6-(4-methylbenzene-1-sulfonyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]amino}-3-oxopropanoate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C20 H21 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(c1cc2c(cc1NC(CC(=O)OC)=O)N(C)C(N2C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9369 |
| logD: | 1.9364 |
| logSw: | -2.879 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.454 |
| InChI Key: | LYEMSCMMRADGDA-UHFFFAOYSA-N |