N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
Chemical Structure Depiction of
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 8008-2370 |
| Compound Name: | N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C25 H23 Br N2 O S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 8.0925 |
| logD: | 8.0917 |
| logSw: | -5.5923 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.139 |
| InChI Key: | PYUZNJTUWHIDRA-UHFFFAOYSA-N |