11-tert-butyl-5-{4-[3-(4-chlorophenoxy)propoxy]phenyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

11-tert-butyl-5-{4-[3-(4-chlorophenoxy)propoxy]phenyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

Formula: C29H31ClN2O3S

SMILES: CC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)N=C(N1)C1=CC=C(OCCCOC2=CC=C(Cl)C=C2)C=C1

IUPAC: 11-tert-butyl-5-{4-[3-(4-chlorophenoxy)propoxy]phenyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),4-trien-3-one

InChI: InChI=1/C29H31ClN2O3S/c1-29(2,3)19-7-14-23-24(17-19)36-28-25(23)27(33)31-26(32-28)18-5-10-21(11-6-18)34-15-4-16-35-22-12-8-20(30)9-13-22/h5-6,8-13,19H,4,7,14-17H2,1-3H3,(H,31,32,33)

Composition: C (66.59%), H (5.97%), Cl (6.78%), N (5.36%), O (9.18%), S (6.13%)

Molar Mass: 523.09

Atom Count: 67

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	522.1743917
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BYOCPMCXNNBCCF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	146.17
Topological Polar Surface Area	59.92
Polarizability	55.62
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H31ClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00