N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenyl)sulfanyl]prolinamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenyl)sulfanyl]prolinamide
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenyl)sulfanyl]prolinamide
Compound characteristics
| Compound ID: | 8008-2834 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(2-nitrophenyl)sulfanyl]prolinamide |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C19 H18 N4 O3 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(C1CCCN1Sc1ccccc1[N+]([O-])=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6846 |
| logD: | 4.6825 |
| logSw: | -4.4318 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.572 |
| InChI Key: | AEGBJONAPLVDKL-HNNXBMFYSA-N |