N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0921 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CCOc1ccc(CCNC(CCN2C(c3cccnc3Sc3ccccc23)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.2455 |
| logD: | 3.2455 |
| logSw: | -3.6097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.165 |
| InChI Key: | CBXZRCQLMGKOBR-UHFFFAOYSA-N |