methyl 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 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 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: | 7761-0005 |
| Compound Name: | methyl 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C17 H16 N2 O4 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC1c2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0169 |
| logD: | -2.4385 |
| logSw: | -3.6972 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.733 |
| InChI Key: | XOXLUHCWHSHQIC-UHFFFAOYSA-N |