N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0090 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CCN1CCCC1CNC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0613 |
| logD: | 2.5209 |
| logSw: | -3.5487 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.496 |
| InChI Key: | BCUWERFBTMXEMD-OAHLLOKOSA-N |