N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E523-0187 |
| Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1972 |
| logD: | 3.9879 |
| logSw: | -4.1748 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.641 |
| InChI Key: | DIKSLAFFDSPWQK-UHFFFAOYSA-N |