N-[(1-ethylpyrrolidin-2-yl)methyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-4597 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C28 H28 F N3 O2 S |
| Smiles: | CCN1CCCC1CNC(c1ccc2c(c1)N(Cc1cccc(c1)F)C(c1ccccc1S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9617 |
| logD: | 4.4213 |
| logSw: | -4.5231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.721 |
| InChI Key: | HJHHRLIJLGIZMN-JOCHJYFZSA-N |