ethyl 4-{4-[(5,6-dihydro-1,4-oxathiine-2-carbonyl)amino]benzamido}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[(5,6-dihydro-1,4-oxathiine-2-carbonyl)amino]benzamido}benzoate
ethyl 4-{4-[(5,6-dihydro-1,4-oxathiine-2-carbonyl)amino]benzamido}benzoate
Compound characteristics
| Compound ID: | G370-0120 |
| Compound Name: | ethyl 4-{4-[(5,6-dihydro-1,4-oxathiine-2-carbonyl)amino]benzamido}benzoate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc(cc1)NC(C1=CSCCO1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3 |
| logD: | 3.1361 |
| logSw: | -3.4587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.803 |
| InChI Key: | TWLOYXRNVAOCMM-UHFFFAOYSA-N |