9-(4-chlorobenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(4-chlorobenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(4-chlorobenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | L676-0498 |
Compound Name: | 9-(4-chlorobenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
Molecular Weight: | 487.42 |
Molecular Formula: | C21 H24 Cl F N4 O2 S |
Salt: | HCl |
Smiles: | C1CN(CCC12C(NCc1ccccc1F)=NCCN2)S(c1ccc(cc1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5553 |
logD: | -0.219 |
logSw: | -4.0094 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.366 |
InChI Key: | CFMPSTDMNFNEEU-UHFFFAOYSA-N |