N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Compound characteristics
| Compound ID: | E523-0502 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CCN(CCCNC(CCN1C(c2ccccc2Sc2c1cccn2)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1869 |
| logD: | 4.1546 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.734 |
| InChI Key: | XARVXNLZPQRXJG-UHFFFAOYSA-N |