3-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-(3,4-dichlorophenyl)urea

3-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-(3,4-dichlorophenyl)urea

Formula: C19H20Cl2N4OS

SMILES: ClC1=CC=C(NC(=O)NC2=NN=C(S2)C23CC4CC(CC(C4)C2)C3)C=C1Cl

IUPAC: 3-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-1-(3,4-dichlorophenyl)urea

InChI: InChI=1S/C19H20Cl2N4OS/c20-14-2-1-13(6-15(14)21)22-17(26)23-18-25-24-16(27-18)19-7-10-3-11(8-19)5-12(4-10)9-19/h1-2,6,10-12H,3-5,7-9H2,(H2,22,23,25,26)

Composition: C (53.90%), H (4.76%), Cl (16.75%), N (13.23%), O (3.78%), S (7.57%)

Molar Mass: 423.36

Atom Count: 47

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	422.0734879
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FTMGQJGHEWYTAY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.65
Topological Polar Surface Area	66.91
Polarizability	41.03
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20Cl2N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00