N-benzyl-10-[(4-chlorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-benzyl-10-[(4-chlorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-benzyl-10-[(4-chlorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0925 |
| Compound Name: | N-benzyl-10-[(4-chlorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 531.03 |
| Molecular Formula: | C29 H23 Cl N2 O4 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9686 |
| logD: | 4.9686 |
| logSw: | -4.9833 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.531 |
| InChI Key: | GPQXXHIMGLHOKM-UHFFFAOYSA-N |