2-(1,3-benzoxazol-2-yl)-3-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]prop-2-enal
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-3-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]prop-2-enal
2-(1,3-benzoxazol-2-yl)-3-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]prop-2-enal
Compound characteristics
| Compound ID: | Y508-1594 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-3-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]prop-2-enal |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C17 H19 N5 O2 |
| Smiles: | C1C2(CN3CN1CN(C2)C3)N/C=C(\C=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 1.4932 |
| logD: | 1.4724 |
| logSw: | -1.7717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.584 |
| InChI Key: | ZDMJXUNZPUCLSP-UHFFFAOYSA-N |