10-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-4108 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 554.11 |
| Molecular Formula: | C32 H28 Cl N3 O2 S |
| Smiles: | C1CN(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2)[Cl])C(c2ccccc2S3)=O)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.5677 |
| logD: | 6.4539 |
| logSw: | -6.3508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.3 |
| InChI Key: | LAOXGADGTDKGLA-UHFFFAOYSA-N |