methyl 2-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
methyl 2-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E511-1067 |
| Compound Name: | methyl 2-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C19 H18 N2 O6 S2 |
| Smiles: | COC(c1ccccc1NC(CCS(c1ccc2c(c1)NC(CS2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2341 |
| logD: | 1.1054 |
| logSw: | -2.3645 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.449 |
| InChI Key: | CTVBGEFTYDRUKB-UHFFFAOYSA-N |