N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(5-chlorothiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(5-chlorothiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(5-chlorothiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-1352 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-9-(5-chlorothiophene-2-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 519.47 |
| Molecular Formula: | C20 H23 Cl N4 O4 S2 |
| Salt: | HCl |
| Smiles: | C1CN(CCC12C(NCc1ccc3c(c1)OCO3)=NCCN2)S(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8811 |
| logD: | -0.8932 |
| logSw: | -3.6227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.5 |
| InChI Key: | NMKLRZOTDSKIQK-UHFFFAOYSA-N |