N-(2-methoxy-5-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(2-methoxy-5-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0280 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | Cc1ccc(c(c1)NC(c1ccc2c(c1)Sc1c(cccn1)C(N2C)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.107 |
| logD: | 3.1049 |
| logSw: | -3.5739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.514 |
| InChI Key: | CEZRVJFRLJXREU-UHFFFAOYSA-N |