1,4,11-trimethyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
1,4,11-trimethyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
1,4,11-trimethyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0901 |
| Compound Name: | 1,4,11-trimethyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C27 H29 N3 O S |
| Smiles: | CC1c2c(C)ccc(C)c2Sc2ccc(cc2N=1)C(NCCCN(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1727 |
| logD: | 5.1678 |
| logSw: | -4.9755 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.96 |
| InChI Key: | FIURRTHHFAZGQY-UHFFFAOYSA-N |