ethyl 2-{[4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydroquinoxaline-6-sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydroquinoxaline-6-sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydroquinoxaline-6-sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-3816 |
| Compound Name: | ethyl 2-{[4-methyl-2-(methylsulfanyl)-3-oxo-3,4-dihydroquinoxaline-6-sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C21 H23 N3 O5 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NS(c1ccc2c(c1)N(C)C(C(=N2)SC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3723 |
| logD: | -2.8366 |
| logSw: | -4.0974 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.025 |
| InChI Key: | SHPMZKDBTPJEFL-UHFFFAOYSA-N |