N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G121-0686 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C26 H21 N3 O5 S |
| Smiles: | COc1cccc2CN(c3cccnc3Oc12)c1ccc(C(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0144 |
| logD: | 5.0144 |
| logSw: | -4.7023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.693 |
| InChI Key: | KJHVCKBEBVRUKA-UHFFFAOYSA-N |