N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G121-0187 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)thiophene-2-carboxamide |
| Molecular Weight: | 473.62 |
| Molecular Formula: | C26 H23 N3 O2 S2 |
| Smiles: | CSc1ccc(CCNC(c2ccc(N3Cc4ccccc4Oc4c3cccn4)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9433 |
| logD: | 5.9433 |
| logSw: | -5.4886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.104 |
| InChI Key: | OPICLGZEGWCSDN-UHFFFAOYSA-N |