(2E)-N-[5-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

(2E)-N-[5-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula: C21H20N4O3S2

SMILES: O=C(CSC1=NN=C(NC(=O)C=CC2=CC=CC=C2)S1)NCCOC1=CC=CC=C1

IUPAC: (2E)-N-[5-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

InChI: InChI=1S/C21H20N4O3S2/c26-18(12-11-16-7-3-1-4-8-16)23-20-24-25-21(30-20)29-15-19(27)22-13-14-28-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,22,27)(H,23,24,26)/b12-11+

Composition: C (57.26%), H (4.58%), N (12.72%), O (10.90%), S (14.56%)

Molar Mass: 440.54

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	440.097682868
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	MSEUVSJFMSCNHV-VAWYXSNFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	121.88
Topological Polar Surface Area	93.21
Polarizability	45.28
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N4O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00