methyl 4-{[3-(dimethylamino)propyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(dimethylamino)propyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate
methyl 4-{[3-(dimethylamino)propyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate
Compound characteristics
| Compound ID: | E677-0954 |
| Compound Name: | methyl 4-{[3-(dimethylamino)propyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate |
| Molecular Weight: | 447.98 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Salt: | HCl |
| Smiles: | Cc1cccc2c1nc(N(CCCN(C)C)C(c1ccc(cc1)C(=O)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3202 |
| logD: | 2.1724 |
| logSw: | -4.2564 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.185 |
| InChI Key: | CEHYHLTZHQCBLQ-UHFFFAOYSA-N |