ethyl 5-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-(morpholin-4-yl)benzoate

ethyl 5-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-(morpholin-4-yl)benzoate

Formula: C21H26N2O3S

SMILES: CCOC(=O)C1=CC(NCC2=CC=C(SC)C=C2)=CC=C1N1CCOCC1

IUPAC: ethyl 5-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-(morpholin-4-yl)benzoate

InChI: InChI=1S/C21H26N2O3S/c1-3-26-21(24)19-14-17(6-9-20(19)23-10-12-25-13-11-23)22-15-16-4-7-18(27-2)8-5-16/h4-9,14,22H,3,10-13,15H2,1-2H3

Composition: C (65.26%), H (6.78%), N (7.25%), O (12.42%), S (8.29%)

Molar Mass: 386.51

Atom Count: 53

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	386.166413879
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FHJBLSLAOWJXIR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.9
Topological Polar Surface Area	50.8
Polarizability	42.51
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00