10-[(2,5-dimethylphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-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-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1430 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 573.76 |
| Molecular Formula: | C33 H39 N3 O4 S |
| Smiles: | CC1CC(C)CN(CCCNC(c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(c2ccccc2S3(=O)=O)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4228 |
| logD: | 2.8759 |
| logSw: | -5.1802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.485 |
| InChI Key: | JYEBJRKQXHXRCT-UHFFFAOYSA-N |