4-(decyloxy)-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-(decyloxy)-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-(decyloxy)-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-5845 |
| Compound Name: | 4-(decyloxy)-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 577.77 |
| Molecular Formula: | C31 H35 N3 O4 S2 |
| Smiles: | CCCCCCCCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 9.8519 |
| logD: | 9.8516 |
| logSw: | -5.5877 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.939 |
| InChI Key: | BLFJLRRZNABQAV-UHFFFAOYSA-N |