2-(5-bromo-2-ethoxyphenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
2-(5-bromo-2-ethoxyphenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
2-(5-bromo-2-ethoxyphenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | D210-0110 |
| Compound Name: | 2-(5-bromo-2-ethoxyphenyl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 435.4 |
| Molecular Formula: | C22 H31 Br N2 O2 |
| Smiles: | CCOc1ccc(cc1C1N2CC3(CN1CC(C2)(C(C)C)C3=O)C(C)C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9907 |
| logD: | 4.9894 |
| logSw: | -4.5762 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.1283 |
| InChI Key: | IEIHTOTWTQSPQA-UHFFFAOYSA-N |