N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K615-0017 |
| Compound Name: | N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 551.64 |
| Molecular Formula: | C24 H18 F N7 O2 S3 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)F)=O)=O)Sc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9214 |
| logD: | 4.9213 |
| logSw: | -4.8812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.997 |
| InChI Key: | TUYYELNQJGSBRP-UHFFFAOYSA-N |