N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-[4-(2-methylpropyl)benzene-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-(2-methylpropyl)benzene-1-sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-1661 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-[4-(2-methylpropyl)benzene-1-sulfonyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 535.11 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Salt: | HCl |
| Smiles: | CC(C)Cc1ccc(cc1)S(N1CCC2(CC1)C(NCc1ccc3c(c1)OCO3)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1797 |
| logD: | 0.4054 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.481 |
| InChI Key: | DATCCNGGJHJDTC-UHFFFAOYSA-N |