N-{3-[benzyl(butyl)amino]propyl}-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-{3-[benzyl(butyl)amino]propyl}-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[benzyl(butyl)amino]propyl}-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: | K788-8423 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 614.21 |
| Molecular Formula: | C35 H36 Cl N3 O3 S |
| Smiles: | CCCCN(CCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0736 |
| logD: | 4.5111 |
| logSw: | -5.8141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.98 |
| InChI Key: | ADHITYAMBJFMAF-UHFFFAOYSA-N |