2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(4-nitrophenyl)acetamide
2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C867-0121 |
| Compound Name: | 2-(2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | CC1CC(N(CC(Nc2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0804 |
| logD: | 2.0776 |
| logSw: | -2.7744 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.461 |
| InChI Key: | DCDUTCWAVDCAQZ-LBPRGKRZSA-N |