methyl 4-{(4-chloro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{(4-chloro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{(4-chloro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E677-1462 |
| Compound Name: | methyl 4-{(4-chloro-1,3-benzothiazol-2-yl)[3-(dimethylamino)propyl]carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 468.4 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Salt: | HCl |
| Smiles: | CN(C)CCCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2c(cccc2s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.348 |
| logD: | 2.2002 |
| logSw: | -4.4461 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.185 |
| InChI Key: | MTYCGKGOTJDLKJ-UHFFFAOYSA-N |