methyl 4-{[2-(diethylamino)ethyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[2-(diethylamino)ethyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
methyl 4-{[2-(diethylamino)ethyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E676-3748 |
| Compound Name: | methyl 4-{[2-(diethylamino)ethyl](4-methyl-1,3-benzothiazol-2-yl)carbamoyl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 462.01 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCN(CC)CCN(C(c1ccc(cc1)C(=O)OC)=O)c1nc2c(C)cccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 4.7053 |
| logSw: | -4.8528 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.73 |
| InChI Key: | VHERTXGXMSSUFP-UHFFFAOYSA-N |