10-benzyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1569 |
| Compound Name: | 10-benzyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 591.77 |
| Molecular Formula: | C36 H37 N3 O3 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O)CN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4386 |
| logD: | 3.4041 |
| logSw: | -5.7832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.75 |
| InChI Key: | KLIQDPORZABGIO-UHFFFAOYSA-N |