N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 8009-0250 |
| Compound Name: | N-(2-{[(4-iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 508.44 |
| Molecular Formula: | C21 H21 I N2 O S2 |
| Smiles: | C1CCC(CC1)C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)I)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7782 |
| logD: | 6.7781 |
| logSw: | -5.9207 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.332 |
| InChI Key: | AGNLADZPBLTTAK-UHFFFAOYSA-N |