N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0832 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | C(CN1C(c2cccnc2Sc2ccccc12)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3756 |
| logD: | 3.3756 |
| logSw: | -3.8455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.018 |
| InChI Key: | AKCWWWNFIYPBHH-UHFFFAOYSA-N |