10-[(4-methylphenyl)methyl]-11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-methylphenyl)methyl]-11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-methylphenyl)methyl]-11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7405 |
| Compound Name: | 10-[(4-methylphenyl)methyl]-11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C29 H31 N3 O2 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(NCCCN2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2058 |
| logD: | 2.1733 |
| logSw: | -4.8165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.004 |
| InChI Key: | MXHNWFRPIBUDTC-UHFFFAOYSA-N |