methyl 4-{2-oxo-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethoxy}benzoate
Chemical Structure Depiction of
methyl 4-{2-oxo-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethoxy}benzoate
methyl 4-{2-oxo-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethoxy}benzoate
Compound characteristics
| Compound ID: | 8006-4569 |
| Compound Name: | methyl 4-{2-oxo-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]ethoxy}benzoate |
| Molecular Weight: | 346.4 |
| Molecular Formula: | C17 H18 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)OCC(Nc1nc2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8046 |
| logD: | 3.7222 |
| logSw: | -3.9739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.257 |
| InChI Key: | JSRVALZWBDMVCZ-UHFFFAOYSA-N |