14-(2H-1,3-benzodioxol-5-yl)-10-[4-(methylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

14-(2H-1,3-benzodioxol-5-yl)-10-[4-(methylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C27H24N2O3S

SMILES: CSC1=CC=C(C=C1)C1NC2=CC=CC=C2NC2=C1C(=O)CC(C2)C1=CC=C2OCOC2=C1

IUPAC: 14-(2H-1,3-benzodioxol-5-yl)-10-[4-(methylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C27H24N2O3S/c1-33-19-9-6-16(7-10-19)27-26-22(28-20-4-2-3-5-21(20)29-27)12-18(13-23(26)30)17-8-11-24-25(14-17)32-15-31-24/h2-11,14,18,27-29H,12-13,15H2,1H3

Composition: C (71.03%), H (5.30%), N (6.14%), O (10.51%), S (7.02%)

Molar Mass: 456.56

Atom Count: 57

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	456.150763815
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NIVRUGCPUFLHMO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	134.89
Topological Polar Surface Area	59.59
Polarizability	50.4
Ring Count	6
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H24N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00