N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | 8008-5833 |
| Compound Name: | N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylprop-2-enamide |
| Molecular Weight: | 458.64 |
| Molecular Formula: | C27 H26 N2 O S2 |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccc(cc3s2)NC(/C=C/c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.9401 |
| logD: | 7.9401 |
| logSw: | -5.6546 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.926 |
| InChI Key: | PZEWQPTYPYRFIM-UHFFFAOYSA-N |