N-[(3-methylphenyl)methyl]-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
N-[(3-methylphenyl)methyl]-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G121-0078 |
| Compound Name: | N-[(3-methylphenyl)methyl]-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C25 H21 N3 O2 S |
| Smiles: | Cc1cccc(CNC(c2ccc(N3Cc4ccccc4Oc4c3cccn4)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.979 |
| logD: | 5.979 |
| logSw: | -5.4179 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.263 |
| InChI Key: | HGSOOOQZGMXSRA-UHFFFAOYSA-N |