6-methyl-N-[(2-methylphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
6-methyl-N-[(2-methylphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
6-methyl-N-[(2-methylphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0302 |
| Compound Name: | 6-methyl-N-[(2-methylphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Smiles: | Cc1ccccc1CNC(c1ccc2c(c1)Sc1c(cccn1)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6257 |
| logD: | 3.6255 |
| logSw: | -3.8249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.904 |
| InChI Key: | MNRGIFOMQDWJJP-UHFFFAOYSA-N |