methyl 6-tert-butyl-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7761-0008 |
| Compound Name: | methyl 6-tert-butyl-2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC3c4ccccc4S(N=3)(=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5741 |
| logD: | -0.8813 |
| logSw: | -4.6043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.733 |
| InChI Key: | HRFDSADGGLZCNG-GFCCVEGCSA-N |