N-butyl-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-butyl-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-butyl-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0742 |
| Compound Name: | N-butyl-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 366.52 |
| Molecular Formula: | C22 H26 N2 O S |
| Smiles: | CCCCNC(c1ccc2c(c1)N=C(CCC)c1cc(C)ccc1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9379 |
| logD: | 5.9376 |
| logSw: | -5.3133 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.757 |
| InChI Key: | IRPBGSDWDBGEEB-UHFFFAOYSA-N |