10-[(3-chlorophenyl)methyl]-N-(3-cyanophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-(3-cyanophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(3-cyanophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0883 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(3-cyanophenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 527.99 |
| Molecular Formula: | C28 H18 Cl N3 O4 S |
| Smiles: | C(c1cccc(c1)[Cl])N1C(c2ccccc2S(c2ccc(cc12)C(Nc1cccc(C#N)c1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0852 |
| logD: | 5.0822 |
| logSw: | -5.2104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.528 |
| InChI Key: | RBEBQZRNCYNMHX-UHFFFAOYSA-N |