methyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
methyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E511-1435 |
| Compound Name: | methyl 4-[3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C20 H20 N2 O6 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(CCC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4213 |
| logD: | 2.4204 |
| logSw: | -2.9542 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.204 |
| InChI Key: | NXDQSKXGRIETPF-GFCCVEGCSA-N |