10-[(3-chlorophenyl)methyl]-N-(2-iodophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-(2-iodophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(2-iodophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9916 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(2-iodophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 612.87 |
| Molecular Formula: | C27 H18 Cl I N2 O3 S |
| Smiles: | C(c1cccc(c1)[Cl])N1C(c2ccccc2S(c2ccc(cc12)C(Nc1ccccc1I)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6184 |
| logD: | 5.6173 |
| logSw: | -5.8421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.178 |
| InChI Key: | IQWSUQPHJKZLAM-UHFFFAOYSA-N |