1-(2,5-dichlorothiophen-3-yl)-3-[(4-methoxyphenyl)amino]prop-2-en-1-one

1-(2,5-dichlorothiophen-3-yl)-3-[(4-methoxyphenyl)amino]prop-2-en-1-one

CAS: 339103-75-2

Formula: C14H11Cl2NO2S

SMILES: COC1=CC=C(NC=CC(=O)C2=C(Cl)SC(Cl)=C2)C=C1

IUPAC: 1-(2,5-dichlorothiophen-3-yl)-3-[(4-methoxyphenyl)amino]prop-2-en-1-one

InChI: InChI=1S/C14H11Cl2NO2S/c1-19-10-4-2-9(3-5-10)17-7-6-12(18)11-8-13(15)20-14(11)16/h2-8,17H,1H3

Composition: C (51.23%), H (3.38%), Cl (21.60%), N (4.27%), O (9.75%), S (9.77%)

Molar Mass: 328.21

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	326.9887552
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RFCOCUOSOYJBNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.58
Topological Polar Surface Area	38.33
Polarizability	31.51
Ring Count	2
Rotatable Bond Count	5

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