N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-chlorobenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-chlorobenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-chlorobenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-0471 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(4-chlorobenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 513.44 |
| Molecular Formula: | C22 H25 Cl N4 O4 S |
| Salt: | HCl |
| Smiles: | C1CN(CCC12C(NCc1ccc3c(c1)OCO3)=NCCN2)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.094 |
| logD: | -0.6803 |
| logSw: | -3.6074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.481 |
| InChI Key: | VZFOARIHPMRAHE-UHFFFAOYSA-N |