N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0902 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 547.69 |
| Molecular Formula: | C31 H34 F N3 O3 S |
| Smiles: | CC1CC(C)CN(CCCNC(c2ccc3c(c2)N(Cc2ccc(cc2)F)C(c2ccccc2S3=O)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2762 |
| logD: | 1.7293 |
| logSw: | -4.0939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.889 |
| InChI Key: | DAAJBVVKXFRTBP-UHFFFAOYSA-N |