10-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-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: | C530-0983 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 547.03 |
| Molecular Formula: | C29 H23 Cl N2 O5 S |
| Smiles: | COc1ccc(CNC(c2ccc3c(c2)N(Cc2ccc(cc2)[Cl])C(c2ccccc2S3(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8118 |
| logD: | 4.8118 |
| logSw: | -4.8374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.338 |
| InChI Key: | HUXTZLGILSPHLN-UHFFFAOYSA-N |