N-(3-methylbutyl)-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(3-methylbutyl)-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7384 |
| Compound Name: | N-(3-methylbutyl)-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | CC(C)CCNC(c1ccc2c(c1)N(Cc1ccc(C)cc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2941 |
| logD: | 6.2941 |
| logSw: | -5.4301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.927 |
| InChI Key: | BMVOVFVXXSKKDJ-UHFFFAOYSA-N |