10-[(2,5-dimethylphenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0353 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 571.61 |
| Molecular Formula: | C30 H25 N3 O7 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4046 |
| logD: | 5.0561 |
| logSw: | -5.2647 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.786 |
| InChI Key: | HQBKDSDHVWLISW-UHFFFAOYSA-N |