1-[2-(2H-1,3-benzodioxol-5-yl)-4-(5-chloro-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(2H-1,3-benzodioxol-5-yl)-4-(5-chloro-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one
1-[2-(2H-1,3-benzodioxol-5-yl)-4-(5-chloro-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one
Compound characteristics
| Compound ID: | Z274-0178 |
| Compound Name: | 1-[2-(2H-1,3-benzodioxol-5-yl)-4-(5-chloro-2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-9-yl]ethan-1-one |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C23 H24 Cl N3 O4 |
| Smiles: | CC(N1CCC2(CC1)NC(CC(c1ccc3c(c1)OCO3)=N2)c1cc(ccc1O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4199 |
| logD: | 3.3901 |
| logSw: | -3.7667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.838 |
| InChI Key: | FXOMMLNJRXQZFT-IBGZPJMESA-N |