N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-methoxybenzamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-methoxybenzamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | P618-0456 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-methoxybenzamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccccc3OC)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.644 |
| logD: | 3.644 |
| logSw: | -3.8748 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.493 |
| InChI Key: | KYKBLOHICBSBGQ-UHFFFAOYSA-N |