2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-({4-[(4-chlorophenyl)sulfanyl]phenyl}carbamoyl)propanoate

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-({4-[(4-chlorophenyl)sulfanyl]phenyl}carbamoyl)propanoate

Formula: C25H21ClN2O6S

SMILES: CC1=CC=C(C=C1[N+]([O-])=O)C(=O)COC(=O)CCC(=O)NC1=CC=C(SC2=CC=C(Cl)C=C2)C=C1

IUPAC: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-({4-[(4-chlorophenyl)sulfanyl]phenyl}carbamoyl)propanoate

InChI: InChI=1S/C25H21ClN2O6S/c1-16-2-3-17(14-22(16)28(32)33)23(29)15-34-25(31)13-12-24(30)27-19-6-10-21(11-7-19)35-20-8-4-18(26)5-9-20/h2-11,14H,12-13,15H2,1H3,(H,27,30)

Composition: C (58.54%), H (4.13%), Cl (6.91%), N (5.46%), O (18.71%), S (6.25%)

Molar Mass: 512.96

Atom Count: 56

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	512.0808853
Formal Charge	0
FSP3	0.16
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CVKOHCIYZZQTGE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.34
Topological Polar Surface Area	115.61
Polarizability	51.16
Ring Count	3
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H21ClN2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00