N-[3-(butylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(butylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | K788-1397 |
Compound Name: | N-[3-(butylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 518.74 |
Molecular Formula: | C30 H34 N2 O2 S2 |
Smiles: | CCCCSCCCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2)=O)=O |
Stereo: | ACHIRAL |
logP: | 7.3561 |
logD: | 7.3561 |
logSw: | -5.5404 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.927 |
InChI Key: | MPLKKHVJMJKJMQ-UHFFFAOYSA-N |