N-(3,5-dimethylphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-(3,5-dimethylphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0859 |
| Compound Name: | N-(3,5-dimethylphenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4552 |
| logD: | 4.4552 |
| logSw: | -4.2159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.581 |
| InChI Key: | HBRUQEUSFPYKQH-UHFFFAOYSA-N |