N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Chemical Structure Depiction of
N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Compound characteristics
| Compound ID: | 8008-6322 |
| Compound Name: | N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide |
| Molecular Weight: | 516.42 |
| Molecular Formula: | C22 H17 I N2 O S2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)I)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0458 |
| logD: | 7.0437 |
| logSw: | -5.6131 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.139 |
| InChI Key: | IBCKDLIUQJEDAA-UHFFFAOYSA-N |