N-[(3,5-difluorophenyl)methyl]-9-(4-propylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
N-[(3,5-difluorophenyl)methyl]-9-(4-propylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
N-[(3,5-difluorophenyl)methyl]-9-(4-propylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
Compound ID: | L676-0002 |
Compound Name: | N-[(3,5-difluorophenyl)methyl]-9-(4-propylbenzene-1-sulfonyl)-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
Molecular Weight: | 513.05 |
Molecular Formula: | C24 H30 F2 N4 O2 S |
Salt: | HCl |
Smiles: | CCCc1ccc(cc1)S(N1CCC2(CC1)C(NCc1cc(cc(c1)F)F)=NCCN2)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5244 |
logD: | 0.7502 |
logSw: | -4.1829 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.366 |
InChI Key: | DXURKWVDCGZTEF-UHFFFAOYSA-N |