2-(5-bromo-2-ethoxyphenyl)-5-butyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of
2-(5-bromo-2-ethoxyphenyl)-5-butyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
2-(5-bromo-2-ethoxyphenyl)-5-butyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Compound characteristics
| Compound ID: | D210-0109 |
| Compound Name: | 2-(5-bromo-2-ethoxyphenyl)-5-butyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one |
| Molecular Weight: | 421.38 |
| Molecular Formula: | C21 H29 Br N2 O2 |
| Smiles: | CCCCC12CN3CC(C)(CN(C1)C3c1cc(ccc1OCC)[Br])C2=O |
| Stereo: | ACHIRAL |
| logP: | 4.9557 |
| logD: | 4.9552 |
| logSw: | -4.5773 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.1283 |
| InChI Key: | YOPQNZXERMDPSI-UHFFFAOYSA-N |