methyl 4-{(4,6-difluoro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{(4,6-difluoro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{(4,6-difluoro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-2732 |
| Compound Name: | methyl 4-{(4,6-difluoro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 469.94 |
| Molecular Formula: | C21 H21 F2 N3 O3 S |
| Salt: | HCl |
| Smiles: | CN(C)CCCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2c(cc(cc2s1)F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1274 |
| logD: | 1.9795 |
| logSw: | -4.2634 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.185 |
| InChI Key: | SIHHNVRCEROIEK-UHFFFAOYSA-N |