ethyl 2-({4-[(4-nitrophenyl)methoxy]phenyl}methyl)-1,3-thiazolidine-4-carboxylate

ethyl 2-({4-[(4-nitrophenyl)methoxy]phenyl}methyl)-1,3-thiazolidine-4-carboxylate

CAS: 415697-08-4

Formula: C20H22N2O5S

SMILES: CCOC(=O)C1CSC(CC2=CC=C(OCC3=CC=C(C=C3)[N+]([O-])=O)C=C2)N1

IUPAC: ethyl 2-({4-[(4-nitrophenyl)methoxy]phenyl}methyl)-1,3-thiazolidine-4-carboxylate

InChI: InChI=1/C20H22N2O5S/c1-2-26-20(23)18-13-28-19(21-18)11-14-5-9-17(10-6-14)27-12-15-3-7-16(8-4-15)22(24)25/h3-10,18-19,21H,2,11-13H2,1H3

Composition: C (59.69%), H (5.51%), N (6.96%), O (19.88%), S (7.97%)

Molar Mass: 402.47

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	402.12494299
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZVYIJXLMBWCGHP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.05
Topological Polar Surface Area	90.7
Polarizability	41.76
Ring Count	3
Rotatable Bond Count	9

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