10-benzyl-N-{3-[bis(2-methylpropyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-{3-[bis(2-methylpropyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-{3-[bis(2-methylpropyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1570 |
| Compound Name: | 10-benzyl-N-{3-[bis(2-methylpropyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 545.74 |
| Molecular Formula: | C32 H39 N3 O3 S |
| Smiles: | CC(C)CN(CCCNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.0792 |
| logD: | 2.2838 |
| logSw: | -4.6524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.273 |
| InChI Key: | HEDYGGZSIQTJDU-UHFFFAOYSA-N |