N-{3-[benzyl(butyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(butyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[benzyl(butyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0431 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 499.72 |
| Molecular Formula: | C31 H37 N3 O S |
| Smiles: | CCCCN(CCCNC(c1ccc2c(c1)N=C(CCC)c1ccccc1S2)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.854 |
| logD: | 5.2915 |
| logSw: | -5.5357 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.425 |
| InChI Key: | BVDALYZGTLYPGM-UHFFFAOYSA-N |