3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(2-chloro-5-nitrobenzoyl)thiourea

3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(2-chloro-5-nitrobenzoyl)thiourea

Formula: C22H24ClN5O4S

SMILES: CCCC(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=CC(=CC=C2Cl)[N+]([O-])=O)C=C1

IUPAC: 3-[4-(4-butanoylpiperazin-1-yl)phenyl]-1-(2-chloro-5-nitrobenzoyl)thiourea

InChI: InChI=1S/C22H24ClN5O4S/c1-2-3-20(29)27-12-10-26(11-13-27)16-6-4-15(5-7-16)24-22(33)25-21(30)18-14-17(28(31)32)8-9-19(18)23/h4-9,14H,2-3,10-13H2,1H3,(H2,24,25,30,33)

Composition: C (53.93%), H (4.94%), Cl (7.24%), N (14.29%), O (13.06%), S (6.54%)

Molar Mass: 489.98

Atom Count: 57

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	489.1237531
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	AENJFNPXFYJXNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	132.93
Topological Polar Surface Area	107.82
Polarizability	49.32
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24ClN5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00