N-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

N-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

Formula: C21H23N5O3S

SMILES: COC1=CC=C(C=C1)N1C(=O)CC(SC(=N)NN=CC2=CC=C(C=C2)N(C)C)C1=O

IUPAC: N-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}methanimidamide

InChI: InChI=1/C21H23N5O3S/c1-25(2)15-6-4-14(5-7-15)13-23-24-21(22)30-18-12-19(27)26(20(18)28)16-8-10-17(29-3)11-9-16/h4-11,13,18H,12H2,1-3H3,(H2,22,24)/b23-13+

Composition: C (59.28%), H (5.45%), N (16.46%), O (11.28%), S (7.53%)

Molar Mass: 425.51

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	425.152160795
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	NHDFFRKHODCVLU-YDZHTSKRNA-N
Lipinski's Rule of Five	1
Molar Refractivity	139.64
Topological Polar Surface Area	98.09
Polarizability	44.53
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23N5O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00