N-[3-(4-benzylpiperidin-1-yl)propyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1173 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 625.76 |
| Molecular Formula: | C36 H36 F N3 O4 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O)CN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7086 |
| logD: | 3.6741 |
| logSw: | -5.8983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.347 |
| InChI Key: | GDUJLZRHPXBZIT-UHFFFAOYSA-N |