N-(3-cyanophenyl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(3-cyanophenyl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0589 |
| Compound Name: | N-(3-cyanophenyl)-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H18 N4 O2 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(Nc1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0549 |
| logD: | 4.0474 |
| logSw: | -4.2786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.593 |
| InChI Key: | OBUQLZABTMDCEB-UHFFFAOYSA-N |