N-{3-[butyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[butyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1038 |
| Compound Name: | N-{3-[butyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 531.72 |
| Molecular Formula: | C31 H37 N3 O3 S |
| Smiles: | CCCCN(C)CCCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8455 |
| logD: | 2.3064 |
| logSw: | -4.3322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.384 |
| InChI Key: | FUNOWLPITPSVDD-UHFFFAOYSA-N |