2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoic acid
2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | C799-0422 |
| Compound Name: | 2-[(2-methyl-5,6-dihydro-1,4-oxathiine-3-carbonyl)amino]benzoic acid |
| Molecular Weight: | 279.31 |
| Molecular Formula: | C13 H13 N O4 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(O)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.9124 |
| logD: | -2.5049 |
| logSw: | -2.7716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.311 |
| InChI Key: | ZLEXRHWEYKXGMO-UHFFFAOYSA-N |