2-{4-[(4-{4-methyl-3-[(oxolan-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1-yl)amino]phenoxy}acetamide

2-{4-[(4-{4-methyl-3-[(oxolan-2-ylmethyl)sulfamoyl]phenyl}phthalazin-1-yl)amino]phenoxy}acetamide

Formula: C28H29N5O5S

SMILES: CC1=CC=C(C=C1S(=O)(=O)NCC1CCCO1)C1=C2C=CC=CC2=C(NC2=CC=C(OCC(N)=O)C=C2)N=N1

IUPAC: 2-(4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}phenoxy)acetamide

InChI: InChI=1/C28H29N5O5S/c1-18-8-9-19(15-25(18)39(35,36)30-16-22-5-4-14-37-22)27-23-6-2-3-7-24(23)28(33-32-27)31-20-10-12-21(13-11-20)38-17-26(29)34/h2-3,6-13,15,22,30H,4-5,14,16-17H2,1H3,(H2,29,34)(H,31,33)

Composition: C (61.41%), H (5.34%), N (12.79%), O (14.61%), S (5.85%)

Molar Mass: 547.63

Atom Count: 68

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	547.188940228
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	USPCJOUIOCBQEX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	148.5
Topological Polar Surface Area	145.53
Polarizability	59.5
Ring Count	5
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H29N5O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00