2-iodo-N-(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
2-iodo-N-(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
2-iodo-N-(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | K401-1331 |
| Compound Name: | 2-iodo-N-(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 526.37 |
| Molecular Formula: | C18 H15 I N4 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(NC(c2ccccc2I)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2691 |
| logD: | 3.9783 |
| logSw: | -4.3347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.657 |
| InChI Key: | MYGHFGJHIKOMAI-UHFFFAOYSA-N |