ethyl 3-(4-methylphenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-(4-methylphenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1)
ethyl 3-(4-methylphenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8016-8170 |
| Compound Name: | ethyl 3-(4-methylphenyl)-3-[(2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]propanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C19 H20 N2 O5 S2 |
| Salt: | HCl |
| Smiles: | CCOC(CC(c1ccc(C)cc1)NS(c1ccc2c(c1)SC(N2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0279 |
| logD: | 4.0062 |
| logSw: | -3.9315 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.147 |
| InChI Key: | RINYUHZAFGZGRY-INIZCTEOSA-N |