N-{1-[benzyl(methyl)amino]butan-2-yl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-{1-[benzyl(methyl)amino]butan-2-yl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-{1-[benzyl(methyl)amino]butan-2-yl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | C798-1003 |
| Compound Name: | N-{1-[benzyl(methyl)amino]butan-2-yl}-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CCC(CN(C)Cc1ccccc1)NC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4506 |
| logD: | 3.8182 |
| logSw: | -4.2403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.927 |
| InChI Key: | MMJJFYWMFHPEQP-NRFANRHFSA-N |