N-{3-[butyl(methyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[butyl(methyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0424 |
| Compound Name: | N-{3-[butyl(methyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 423.62 |
| Molecular Formula: | C25 H33 N3 O S |
| Smiles: | CCCCN(C)CCCNC(c1ccc2c(c1)N=C(CCC)c1ccccc1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2353 |
| logD: | 2.6962 |
| logSw: | -4.8615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.829 |
| InChI Key: | LDFXVUFIJIPRBU-UHFFFAOYSA-N |