N-{2-[benzyl(propan-2-yl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(propan-2-yl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[benzyl(propan-2-yl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8379 |
| Compound Name: | N-{2-[benzyl(propan-2-yl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 586.15 |
| Molecular Formula: | C33 H32 Cl N3 O3 S |
| Smiles: | CC(C)N(CCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3096 |
| logD: | 4.833 |
| logSw: | -5.6407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.637 |
| InChI Key: | XSAONJIYESBCQZ-UHFFFAOYSA-N |