1-(4-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione

1-(4-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione

CAS: 1276105-89-5

Formula: C30H35N7O3S

SMILES: CC(C)=CC(=O)CCC(=O)N1CCN(CC2=CC3=NC(=NC(N4CCOCC4)=C3S2)C2=CC=CC3=NNC=C23)CC1

IUPAC: 1-(4-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione

InChI: InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)

Composition: C (62.81%), H (6.15%), N (17.09%), O (8.37%), S (5.59%)

Molar Mass: 573.72

Atom Count: 76

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	573.252209189
Formal Charge	0
FSP3	0.43
Hetero Ring Count	5
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	DLNUPKDFXMWRFP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	172.38
Topological Polar Surface Area	107.55
Polarizability	63.56
Ring Count	6
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1276105-89-5		$61.92-$525.91$61.92$87.91$161.29$328.69$525.91