Text Search
Structure Search

1-(4-methylbenzenesulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

1-(4-methylbenzenesulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

Formula: C21H28N2O5S

SMILES: COC1=CC(OC)=C(OC)C=C1CN1CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: 1-(4-methylbenzenesulfonyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

InChI: InChI=1S/C21H28N2O5S/c1-16-5-7-18(8-6-16)29(24,25)23-11-9-22(10-12-23)15-17-13-20(27-3)21(28-4)14-19(17)26-2/h5-8,13-14H,9-12,15H2,1-4H3

Composition: C (59.98%), H (6.71%), N (6.66%), O (19.02%), S (7.62%)

Molar Mass: 420.52

Atom Count: 57

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 420.171893184
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey PMSMGLDMLIDQIK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.1
Topological Polar Surface Area 68.31
Polarizability 44.53
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H28N2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote