methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate
Compound characteristics
| Compound ID: | E676-5526 |
| Compound Name: | methyl 4-{[2-(diethylamino)ethyl](4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl}benzoate |
| Molecular Weight: | 483.96 |
| Molecular Formula: | C22 H23 F2 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCN(CC)CCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2c(cc(cc2s1)F)F |
| Stereo: | ACHIRAL |
| logP: | 4.9172 |
| logD: | 4.5125 |
| logSw: | -4.6226 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.73 |
| InChI Key: | IYHBHMDVTOYBKH-UHFFFAOYSA-N |