4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl 3,4,5-trimethoxybenzoate
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 6313-0018 |
| Compound Name: | 4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(thiophen-2-yl)methyl]amino}phenyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 564.64 |
| Molecular Formula: | C28 H24 N2 O7 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1ccc(cc1)N(Cc1cccs1)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3842 |
| logD: | 4.3842 |
| logSw: | -4.4627 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.207 |
| InChI Key: | JAAVTPAAJFTFIL-UHFFFAOYSA-N |