4-(decyloxy)-N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-(decyloxy)-N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-(decyloxy)-N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-9684 |
| Compound Name: | 4-(decyloxy)-N-(2-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 620.79 |
| Molecular Formula: | C32 H36 N4 O5 S2 |
| Smiles: | CCCCCCCCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 9.6694 |
| logD: | 9.6688 |
| logSw: | -5.5924 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.088 |
| InChI Key: | MJJWDJOQDGQSFY-UHFFFAOYSA-N |