2-(2,2-dimethyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(pentafluorophenyl)acetamide
Chemical Structure Depiction of
2-(2,2-dimethyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(pentafluorophenyl)acetamide
2-(2,2-dimethyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(pentafluorophenyl)acetamide
Compound characteristics
| Compound ID: | C775-0069 |
| Compound Name: | 2-(2,2-dimethyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(pentafluorophenyl)acetamide |
| Molecular Weight: | 462.39 |
| Molecular Formula: | C19 H15 F5 N2 O4 S |
| Smiles: | CC1(C)CC(N(CC(Nc2c(c(c(c(c2F)F)F)F)F)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1825 |
| logD: | -1.0322 |
| logSw: | -3.4037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.684 |
| InChI Key: | NSKVVNTZAMUCKL-UHFFFAOYSA-N |