4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl furan-2-carboxylate
Chemical Structure Depiction of
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl furan-2-carboxylate
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl furan-2-carboxylate
Compound characteristics
Compound ID: | 6313-0019 |
Compound Name: | 4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl furan-2-carboxylate |
Molecular Weight: | 464.52 |
Molecular Formula: | C23 H16 N2 O5 S2 |
Smiles: | C(c1cccs1)N(C1c2ccccc2S(N=1)(=O)=O)c1ccc(cc1)OC(c1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 4.0759 |
logD: | 4.0759 |
logSw: | -4.4301 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 71.808 |
InChI Key: | JSMBFXTWRMGDCA-UHFFFAOYSA-N |