(2Z,5Z)-5-{[3-bromo-5-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one

(2Z,5Z)-5-{[3-bromo-5-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one

Formula: C22H18BrClN2O3S

SMILES: COCCN1C(=O)C(SC1=N/C1=CC=CC=C1)=CC1=CC(Cl)=C(OCC#C)C(Br)=C1

IUPAC: (2Z,5Z)-5-{[3-bromo-5-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one

InChI: InChI=1S/C22H18BrClN2O3S/c1-3-10-29-20-17(23)12-15(13-18(20)24)14-19-21(27)26(9-11-28-2)22(30-19)25-16-7-5-4-6-8-16/h1,4-8,12-14H,9-11H2,2H3/b19-14-,25-22-

Composition: C (52.24%), H (3.59%), Br (15.80%), Cl (7.01%), N (5.54%), O (9.49%), S (6.34%)

Molar Mass: 505.81

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	503.991004
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PHMRCSPEZMEOBA-HZLKLEQGSA-N
Lipinski's Rule of Five
Molar Refractivity	127.38
Topological Polar Surface Area	51.13
Polarizability	47.34
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18BrClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00