Chemical ID: 6304247

Cc1c(cnn1C)C(=O)Nc2ccc(cc2)C(=O)OC
Chemical ID:
6304247
Name [?]:
methyl 4-(1,5-dimethylpyrazol-4-yl)carbonylaminobenzoate
SMILES [?]:
Cc1c(cnn1C)C(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C14H15N3O3/c1-9-12(8-15-17(9)2)13(18)16-11-6-4-10(5-7-11)14(19)20-3/h4-8H,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,20,13,15,12,16,4,2,14,11,3,8,17,5,10,6,9,18,19/E:(4,5)(6,7)/rA:20nCCCCNNCCONCCCCCCCOOC/rB:s1;d2;s3;d4;s2s5;s6;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.278
Area:474.799
Solvation:-3.59198
Coulombic:-43.6707
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.287
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.66
LogP (Chemaxon):0.94

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