10-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8336 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 531.03 |
| Molecular Formula: | C29 H23 Cl N2 O4 S |
| Smiles: | COc1ccc(CNC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7429 |
| logD: | 4.7429 |
| logSw: | -4.7963 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.742 |
| InChI Key: | UDIJEVDXKHYJCZ-UHFFFAOYSA-N |