10-ethyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-ethyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-ethyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0323 |
| Compound Name: | 10-ethyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C24 H22 N2 O5 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccc(cc1)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.915 |
| logD: | 2.915 |
| logSw: | -3.6636 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.334 |
| InChI Key: | XXUFEWRZIVVBQU-UHFFFAOYSA-N |