3-methyl-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-nitrobenzamide
Chemical Structure Depiction of
3-methyl-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-nitrobenzamide
3-methyl-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | G943-0119 |
| Compound Name: | 3-methyl-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-nitrobenzamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc2c(c1)Sc1ccccc1C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5094 |
| logD: | 4.5093 |
| logSw: | -4.3744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.61 |
| InChI Key: | FPLOXBJKSDLEAR-UHFFFAOYSA-N |