2-bromo-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
2-bromo-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
2-bromo-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-4099 |
| Compound Name: | 2-bromo-N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C25 H23 Br N2 O S2 |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccc(cc3s2)NC(c2ccccc2[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5679 |
| logD: | 7.5627 |
| logSw: | -5.5955 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.139 |
| InChI Key: | ROHWZURVVDTMIE-UHFFFAOYSA-N |