10-[(2,5-dimethylphenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1398 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C30 H33 N3 O4 S |
| Smiles: | CCN1CCCC1CNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2761 |
| logD: | 3.7357 |
| logSw: | -4.1446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.701 |
| InChI Key: | LAVANMOSANURBM-XMMPIXPASA-N |