Chemical ID: 7159712

Cc1cc(=O)oc2c1ccc(c2)NC(=O)c3c(cnn3C)I
Chemical ID:
7159712
Name [?]:
4-iodo-2-methyl-N-(4-methyl-2-oxo-chromen-7-yl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)NC(=O)c3c(cnn3C)I
InChi [?]:
InChI=1/C15H12IN3O3/c1-8-5-13(20)22-12-6-9(3-4-10(8)12)18-15(21)14-11(16)7-17-19(14)2/h3-7H,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,10,9,3,12,18,2,11,8,17,7,4,16,14,22,19,13,20,5,15,6/rA:22nCCCCOOCCCCCCNCOCCCNNCI/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12IN3O3
All Atoms:34
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.99353
Area:502.429
Solvation:-3.56719
Coulombic:-43.3883
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:409.179
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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