ethyl 3-{[N-methyl-N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-methyl-N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]amino}benzoate
ethyl 3-{[N-methyl-N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]amino}benzoate
Compound characteristics
| Compound ID: | C852-0148 |
| Compound Name: | ethyl 3-{[N-methyl-N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]amino}benzoate |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C20 H21 N3 O5 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CN(C)S(c1ccc2c(c1)sc(C)n2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0272 |
| logD: | 4.0271 |
| logSw: | -4.0092 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.233 |
| InChI Key: | IZLFWWFHPDACOB-UHFFFAOYSA-N |