2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E523-0152 |
| Compound Name: | 2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7582 |
| logD: | 4.7582 |
| logSw: | -4.36 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.602 |
| InChI Key: | AGRFWWUUSOYUSV-UHFFFAOYSA-N |