methyl 2-[3-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl)propanamido]benzoate
methyl 2-[3-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | C920-1150 |
| Compound Name: | methyl 2-[3-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | CN1C(C(N(C)c2cc(ccc12)S(CCC(Nc1ccccc1C(=O)OC)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3256 |
| logD: | 0.1969 |
| logSw: | -2.4761 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.988 |
| InChI Key: | REDOXSWHVCQLPJ-UHFFFAOYSA-N |