N-[5-({[(4-fluoro-3-nitrophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

N-[5-({[(4-fluoro-3-nitrophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

Formula: C19H16FN5O4S2

SMILES: [O-][N+](=O)C1=CC(NC(=O)CSC2=NN=C(NC(=O)CCC3=CC=CC=C3)S2)=CC=C1F

IUPAC: N-[5-({[(4-fluoro-3-nitrophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

InChI: InChI=1S/C19H16FN5O4S2/c20-14-8-7-13(10-15(14)25(28)29)21-17(27)11-30-19-24-23-18(31-19)22-16(26)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,21,27)(H,22,23,26)

Composition: C (49.45%), H (3.49%), F (4.12%), N (15.18%), O (13.87%), S (13.89%)

Molar Mass: 461.49

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.062774526
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	YYCWLVZGHHMXSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.33
Topological Polar Surface Area	127.12
Polarizability	42.85
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16FN5O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00