2-(adamantane-1-carbonyl)-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine

2-(adamantane-1-carbonyl)-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine

Formula: C30H30N2O3S2

SMILES: COC1=CC=C(C=C1OC)C1=C2C(N)=C(SC2=NC(=C1)C1=CC=CS1)C(=O)C12CC3CC(CC(C3)C1)C2

IUPAC: 2-(adamantane-1-carbonyl)-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridin-3-amine

InChI: InChI=1S/C30H30N2O3S2/c1-34-22-6-5-19(11-23(22)35-2)20-12-21(24-4-3-7-36-24)32-29-25(20)26(31)27(37-29)28(33)30-13-16-8-17(14-30)10-18(9-16)15-30/h3-7,11-12,16-18H,8-10,13-15,31H2,1-2H3

Composition: C (67.90%), H (5.70%), N (5.28%), O (9.04%), S (12.08%)

Molar Mass: 530.7

Atom Count: 67

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	530.169785182
Formal Charge	0
FSP3	0.4
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KSDZCOGXDIQIAA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	147.54
Topological Polar Surface Area	74.44
Polarizability	59.81
Ring Count	7
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H30N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00