diethyl [(4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl)methyl]phosphonate
Chemical Structure Depiction of
diethyl [(4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl)methyl]phosphonate
diethyl [(4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl)methyl]phosphonate
Compound characteristics
| Compound ID: | 8017-5467 |
| Compound Name: | diethyl [(4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}phenyl)methyl]phosphonate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C20 H23 N2 O4 P S2 |
| Smiles: | CCOP(Cc1ccc(cc1)NC(CSc1nc2ccccc2s1)=O)(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.5453 |
| logD: | 3.5453 |
| logSw: | -3.7042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.093 |
| InChI Key: | JADMXXHTURUMQF-UHFFFAOYSA-N |