(2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one

(2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one

Formula: C21H23N3O3S

SMILES: COC1=CC=C(C=C1)N=C1/NC(=O)C(S1)=C/C1=CC=C(O1)N1CCCCCC1

IUPAC: (2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one

InChI: InChI=1S/C21H23N3O3S/c1-26-16-8-6-15(7-9-16)22-21-23-20(25)18(28-21)14-17-10-11-19(27-17)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,22,23,25)/b18-14+

Composition: C (63.46%), H (5.83%), N (10.57%), O (12.07%), S (8.07%)

Molar Mass: 397.49

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	397.146012787
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	TXEGHSAWITZBDO-NBVRZTHBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.25
Topological Polar Surface Area	67.07
Polarizability	42.18
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00