10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8404 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 495 |
| Molecular Formula: | C26 H23 Cl N2 O4 S |
| Smiles: | C1CC(CNC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3111 |
| logD: | 3.3111 |
| logSw: | -3.9895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.852 |
| InChI Key: | PJWWAMLNBDENCQ-UHFFFAOYSA-N |