N-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}ethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

N-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}ethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Formula: C18H17Cl2NO3S

SMILES: ClC1=CC=C(CSCCNC(=O)C2COC3=C(O2)C=CC=C3)C=C1Cl

IUPAC: N-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}ethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

InChI: InChI=1/C18H17Cl2NO3S/c19-13-6-5-12(9-14(13)20)11-25-8-7-21-18(22)17-10-23-15-3-1-2-4-16(15)24-17/h1-6,9,17H,7-8,10-11H2,(H,21,22)

Composition: C (54.28%), H (4.30%), Cl (17.80%), N (3.52%), O (12.05%), S (8.05%)

Molar Mass: 398.3

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	397.03062
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AZNBPLJFVHNTNT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.96
Topological Polar Surface Area	47.56
Polarizability	39.67
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17Cl2NO3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00