10-[(3-chlorophenyl)methyl]-N-(4-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-(4-iodophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(4-iodophenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9931 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(4-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(Nc1ccc(cc1)I)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3052 |
| logD: | 6.3044 |
| logSw: | -6.2263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.876 |
| InChI Key: | DOUYUTQTHAGIGP-UHFFFAOYSA-N |