9-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0352 |
| Compound Name: | 9-(benzenesulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 479 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Salt: | HCl |
| Smiles: | C1CN(CCC12C(NCc1ccc3c(c1)OCO3)=NCCN2)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3142 |
| logD: | -1.46 |
| logSw: | -2.8154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.481 |
| InChI Key: | RPAZAXFMZRPLJC-UHFFFAOYSA-N |