2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0654 |
| Compound Name: | 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 456.05 |
| Molecular Formula: | C25 H30 Cl N3 O S |
| Smiles: | CC1CC(C)CN(CCCNC(c2ccc3c(c2)N=C(C)c2cc(ccc2S3)[Cl])=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.637 |
| logD: | 3.09 |
| logSw: | -5.7951 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.604 |
| InChI Key: | MEXZJMPUGNKWBQ-UHFFFAOYSA-N |