Name: Name:4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1-(pentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
Brand: Angene
SKU: AG01DGA6
Rating: 90 (10 reviews)

4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1-(pentan-3-yl)-1H-1,2,4-triazol-5(4H)-one

CAS No.:

212632-01-4

Catalog Number:

AG01DGA6

Molecular Formula:

C23H29N5O2

Molecular Weight:

407.5087

Catalog Number:

AG01DGA6

Chemical Name:

4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1-(pentan-3-yl)-1H-1,2,4-triazol-5(4H)-one

CAS Number:

212632-01-4

Molecular Formula:

C23H29N5O2

Molecular Weight:

407.5087

IUPAC Name:

4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-pentan-3-yl-1,2,4-triazol-3-one

InChI:

InChI=1S/C23H29N5O2/c1-3-18(4-2)28-23(30)27(17-24-28)21-7-5-19(6-8-21)25-13-15-26(16-14-25)20-9-11-22(29)12-10-20/h5-12,17-18,29H,3-4,13-16H2,1-2H3

InChI Key:

KWEIEPKOLYAFKI-UHFFFAOYSA-N

SMILES:

CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)O)CC

Complexity:

586

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

407.232g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

407.518g/mol

Monoisotopic Mass:

407.232g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3