N-(1-benzylpiperidin-4-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(1-benzylpiperidin-4-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8393 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 584.14 |
| Molecular Formula: | C33 H30 Cl N3 O3 S |
| Smiles: | C1CN(CCC1NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9971 |
| logD: | 3.5519 |
| logSw: | -5.0384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.464 |
| InChI Key: | YVMMEBAWCRVVSQ-UHFFFAOYSA-N |