4-[4-methyl-3-(4-methylpiperazin-1-ylsulfonyl)phenyl]-N-(2-methylphenyl)phthalazin-1-amine

4-[4-methyl-3-(4-methylpiperazin-1-ylsulfonyl)phenyl]-N-(2-methylphenyl)phthalazin-1-amine

Formula: C27H29N5O2S

SMILES: CN1CCN(CC1)S(=O)(=O)C1=CC(=CC=C1C)C1=C2C=CC=CC2=C(NC2=CC=CC=C2C)N=N1

IUPAC: 4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(2-methylphenyl)phthalazin-1-amine

InChI: InChI=1S/C27H29N5O2S/c1-19-8-4-7-11-24(19)28-27-23-10-6-5-9-22(23)26(29-30-27)21-13-12-20(2)25(18-21)35(33,34)32-16-14-31(3)15-17-32/h4-13,18H,14-17H2,1-3H3,(H,28,30)

Composition: C (66.51%), H (5.99%), N (14.36%), O (6.56%), S (6.57%)

Molar Mass: 487.62

Atom Count: 64

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	487.204196368
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	RRVYRAVHWPTKPL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	141.86
Topological Polar Surface Area	78.43
Polarizability	56.58
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29N5O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00