10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1322 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C29 H32 N2 O4 S |
| Smiles: | CCCN(CCC)C(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3905 |
| logD: | 5.3905 |
| logSw: | -5.3018 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.82 |
| InChI Key: | FACRHMJOIPCXRB-UHFFFAOYSA-N |