N-{2-[benzyl(methyl)amino]ethyl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-{2-[benzyl(methyl)amino]ethyl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | C798-1010 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CN(CCNC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0083 |
| logD: | 2.3539 |
| logSw: | -3.5978 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.839 |
| InChI Key: | SKCKEQDBFCKJLT-UHFFFAOYSA-N |