ethyl 2-[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8016-9126 |
| Compound Name: | ethyl 2-[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C20 H22 N2 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NS(c1cc2c(cc1C)OCC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1258 |
| logD: | -2.7803 |
| logSw: | -3.3352 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.627 |
| InChI Key: | FRDLZBSOBASVHA-UHFFFAOYSA-N |