N-[(4-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-[(4-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0827 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | COc1ccc(CNC(CCN2C(c3cccnc3Sc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4449 |
| logD: | 3.4449 |
| logSw: | -3.8254 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.447 |
| InChI Key: | LJWQTSMBRMHTTK-UHFFFAOYSA-N |