N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | 8008-4287 |
| Compound Name: | N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-nitrobenzamide |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | CC(C)(C)c1ccc(CSc2nc3ccc(cc3s2)NC(c2ccccc2[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9473 |
| logD: | 6.8042 |
| logSw: | -5.5836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.22 |
| InChI Key: | ASQBQNMUQBTNIT-UHFFFAOYSA-N |