N-benzyl-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-benzyl-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-benzyl-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0240 |
| Compound Name: | N-benzyl-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Smiles: | CN1C(c2cccnc2Sc2cc(ccc12)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7378 |
| logD: | 2.7378 |
| logSw: | -3.6114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.904 |
| InChI Key: | ASBVTOLUVGRZDR-UHFFFAOYSA-N |