N-[(4-butoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-[(4-butoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-1039 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCCCOc1ccc(CNC(CCN2C(c3cccnc3Sc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8948 |
| logD: | 4.8948 |
| logSw: | -4.3956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.321 |
| InChI Key: | GVLXUCYSZGSTJT-UHFFFAOYSA-N |