10-[(2,5-dimethylphenyl)methyl]-N-[3-(3-methylpiperidin-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-methylpiperidin-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-methylpiperidin-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: | C530-1435 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 559.73 |
| Molecular Formula: | C32 H37 N3 O4 S |
| Smiles: | CC1CCCN(CCCNC(c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(c2ccccc2S3(=O)=O)=O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8703 |
| logD: | 2.2988 |
| logSw: | -4.3895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.552 |
| InChI Key: | VHDBKCPLWJLJRC-QHCPKHFHSA-N |