N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(3-methylphenoxy)acetamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(3-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | P895-0228 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2-(3-methylphenoxy)acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(COc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5229 |
| logD: | 4.5229 |
| logSw: | -4.3341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.826 |
| InChI Key: | HYAQDZBHHTZXGO-UHFFFAOYSA-N |