4-tert-butyl-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-tert-butyl-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8009-6248 |
| Compound Name: | 4-tert-butyl-N-(2-{[(2-methoxy-5-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C26 H25 N3 O4 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4636 |
| logD: | 7.4628 |
| logSw: | -5.59 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.151 |
| InChI Key: | OCOYGTZBIFLPIS-UHFFFAOYSA-N |