methyl 2-[({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}carbamothioyl)amino]benzoate

methyl 2-[({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}carbamothioyl)amino]benzoate

Formula: C18H15Cl4N3O3S

SMILES: COC(=O)C1=CC=CC=C1NC(=S)NC(NC(=O)C1=CC=CC(Cl)=C1)C(Cl)(Cl)Cl

IUPAC: methyl 2-[({2,2,2-trichloro-1-[(3-chlorophenyl)formamido]ethyl}carbamothioyl)amino]benzoate

InChI: InChI=1/C18H15Cl4N3O3S/c1-28-15(27)12-7-2-3-8-13(12)23-17(29)25-16(18(20,21)22)24-14(26)10-5-4-6-11(19)9-10/h2-9,16H,1H3,(H,24,26)(H2,23,25,29)

Composition: C (43.66%), H (3.05%), Cl (28.64%), N (8.49%), O (9.69%), S (6.47%)

Molar Mass: 495.2

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	492.9588233
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	HNEQJIQIVJKODL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	122.07
Topological Polar Surface Area	79.46
Polarizability	45.94
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H15Cl4N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00