N-{3-benzyl-5-[(ethylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}-4-chlorobenzamide

N-{3-benzyl-5-[(ethylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}-4-chlorobenzamide

Formula: C21H21ClN4O3S

SMILES: CCNC(=O)CC1N(NC(=O)C2=CC=C(Cl)C=C2)C(=S)N(CC2=CC=CC=C2)C1=O

IUPAC: N-{3-benzyl-5-[(ethylcarbamoyl)methyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl}-4-chlorobenzamide

InChI: InChI=1/C21H21ClN4O3S/c1-2-23-18(27)12-17-20(29)25(13-14-6-4-3-5-7-14)21(30)26(17)24-19(28)15-8-10-16(22)11-9-15/h3-11,17H,2,12-13H2,1H3,(H,23,27)(H,24,28)

Composition: C (56.69%), H (4.76%), Cl (7.97%), N (12.59%), O (10.79%), S (7.21%)

Molar Mass: 444.93

Atom Count: 51

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	444.1022894
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WPZMGBQHLYNYTR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.88
Topological Polar Surface Area	81.75
Polarizability	45.65
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21ClN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00