methyl 3-methyl-2-{[4-(piperidine-1-sulfonyl)benzoyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 3-methyl-2-{[4-(piperidine-1-sulfonyl)benzoyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
methyl 3-methyl-2-{[4-(piperidine-1-sulfonyl)benzoyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | C059-0191 |
| Compound Name: | methyl 3-methyl-2-{[4-(piperidine-1-sulfonyl)benzoyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C22 H23 N3 O5 S2 |
| Smiles: | CN1\C(=N/C(c2ccc(cc2)S(N2CCCCC2)(=O)=O)=O)Sc2cc(ccc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4076 |
| logD: | 3.4076 |
| logSw: | -3.949 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 78.181 |
| InChI Key: | XANOBXGBUGOTRZ-UHFFFAOYSA-N |