2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenyl]acetamide

2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenyl]acetamide

Formula: C27H27N5O4S

SMILES: CC1=CC=C(C=C1S(=O)(=O)N1CCOCC1)C1=C2C=CC=CC2=C(NC2=CC=C(CC(N)=O)C=C2)N=N1

IUPAC: 2-[4-({4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]phthalazin-1-yl}amino)phenyl]acetamide

InChI: InChI=1S/C27H27N5O4S/c1-18-6-9-20(17-24(18)37(34,35)32-12-14-36-15-13-32)26-22-4-2-3-5-23(22)27(31-30-26)29-21-10-7-19(8-11-21)16-25(28)33/h2-11,17H,12-16H2,1H3,(H2,28,33)(H,29,31)

Composition: C (62.65%), H (5.26%), N (13.53%), O (12.36%), S (6.19%)

Molar Mass: 517.6

Atom Count: 64

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	517.178375543
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	YSQCWJSRURCLAG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	142.98
Topological Polar Surface Area	127.51
Polarizability	56.99
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H27N5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00