methyl 3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-(4-ethylpiperazin-1-yl)benzoate

methyl 3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-(4-ethylpiperazin-1-yl)benzoate

Formula: C22H26ClN3O3S

SMILES: CCN1CCN(CC1)C1=CC=C(C=C1NC(=O)CSC1=CC=C(Cl)C=C1)C(=O)OC

IUPAC: methyl 3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-(4-ethylpiperazin-1-yl)benzoate

InChI: InChI=1S/C22H26ClN3O3S/c1-3-25-10-12-26(13-11-25)20-9-4-16(22(28)29-2)14-19(20)24-21(27)15-30-18-7-5-17(23)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)

Composition: C (58.99%), H (5.85%), Cl (7.91%), N (9.38%), O (10.71%), S (7.16%)

Molar Mass: 447.98

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	447.1383406
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ANKOVQAHFQZSJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.38
Topological Polar Surface Area	61.88
Polarizability	47.13
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26ClN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00