10-benzyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1907 |
| Compound Name: | 10-benzyl-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C29 H24 N2 O5 S |
| Smiles: | COc1ccc(CNC(c2ccc3c(c2)N(Cc2ccccc2)C(c2ccccc2S3(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2171 |
| logD: | 4.2171 |
| logSw: | -4.3336 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.338 |
| InChI Key: | NDJQWIDWRDDXBR-UHFFFAOYSA-N |