2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(4-nitrophenyl)acetamide
2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C714-0127 |
| Compound Name: | 2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C18 H17 N3 O4 S |
| Smiles: | CC1CC(N(CC(Nc2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3979 |
| logD: | 3.395 |
| logSw: | -3.8527 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.481 |
| InChI Key: | XYIGDTWESOGURF-LBPRGKRZSA-N |