10-[(4-chlorophenyl)methyl]-N-[(cyclohex-3-en-1-yl)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-[(4-chlorophenyl)methyl]-N-[(cyclohex-3-en-1-yl)methyl]-5,11-dioxo-N-[(oxolan-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[(cyclohex-3-en-1-yl)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: | C529-0568 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[(cyclohex-3-en-1-yl)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: | 589.15 |
| Molecular Formula: | C33 H33 Cl N2 O4 S |
| Smiles: | C1CC(CN(CC2CCC=CC2)C(c2ccc3c(c2)N(Cc2ccc(cc2)[Cl])C(c2ccccc2S3=O)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3838 |
| logD: | 5.3838 |
| logSw: | -5.9131 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.571 |
| InChI Key: | VFAYIIURXNNGOQ-UHFFFAOYSA-N |