Text Search
Structure Search

ethyl 2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 1023479-13-1

Formula: C19H19F3N2O4S

SMILES: CCOC(=O)C1=C(NC(=O)NC2=CC=C(OC(F)(F)F)C=C2)SC2=C1CCCC2

IUPAC: ethyl 2-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C19H19F3N2O4S/c1-2-27-17(25)15-13-5-3-4-6-14(13)29-16(15)24-18(26)23-11-7-9-12(10-8-11)28-19(20,21)22/h7-10H,2-6H2,1H3,(H2,23,24,26)

Composition: C (53.27%), H (4.47%), F (13.30%), N (6.54%), O (14.94%), S (7.48%)

Molar Mass: 428.43

Atom Count: 48

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 428.101762763
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SWGAAHZRVDVRKM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 99.58
Topological Polar Surface Area 76.66
Polarizability 37.49
Ring Count 3
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1023479-13-1 $51.35-$86.31$51.35$63.37$86.31
Request Quote