Chemical ID: 6450639

CCOC(=O)c1c(cn(n1)c2cccc(c2)Cl)C(=O)c3cccc4c3cccc4
Chemical ID:
6450639
Name [?]:
ethyl 1-(3-chlorophenyl)-4-(1-naphthylcarbonyl)pyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(cn(n1)c2cccc(c2)Cl)C(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C23H17ClN2O3/c1-2-29-23(28)21-20(14-26(25-21)17-10-6-9-16(24)13-17)22(27)19-12-5-8-15-7-3-4-11-18(15)19/h3-14H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,22,13,29,23,14,12,26,21,16,8,24,15,11,25,20,7,6,18,4,17,10,9,19,5,3/rA:29nCCOCOCCCNNCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s9;s11;d12;s13;d14;d11s15;s15;s7;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClN2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8078
Area:628.419
Solvation:-3.90267
Coulombic:-35.4739
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.845
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.8
LogP (Chemaxon):5.03

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Descriptor Annotations

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