4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl thiophene-2-carboxylate
4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 6681-0047 |
| Compound Name: | 4-{[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C27 H22 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1ccc(c(c1)OC)OC(c1cccs1)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6075 |
| logD: | 5.6075 |
| logSw: | -5.4222 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.946 |
| InChI Key: | FVOLPBCCNGPSGA-UHFFFAOYSA-N |