4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(thiophen-2-yl)ethyl]butanamide
Chemical Structure Depiction of
4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(thiophen-2-yl)ethyl]butanamide
4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(thiophen-2-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | E645-2049 |
| Compound Name: | 4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(thiophen-2-yl)ethyl]butanamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | C(CC(NCCc1cccs1)=O)CN1C(c2cccnc2Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.435 |
| logD: | 2.435 |
| logSw: | -3.0776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.842 |
| InChI Key: | LMAMTKRQRFTQLX-UHFFFAOYSA-N |