2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate
2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 4418-0024 |
| Compound Name: | 2-[(2-chlorophenyl)(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 530.98 |
| Molecular Formula: | C25 H23 Cl N2 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)OCCN(C1c2ccccc2S(N=1)(=O)=O)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2404 |
| logD: | 4.2404 |
| logSw: | -4.4601 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.536 |
| InChI Key: | AQZFWOWBQSKGHF-UHFFFAOYSA-N |