Chemical ID: 7206444

CCn1c2ccccc2nc1NC(=O)c3ccc(o3)Cn4c(c(c(n4)C)Cl)C
Chemical ID:
7206444
Name [?]:
5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(1-ethylbenzoimidazol-2-yl)-furan-2-carboxamide
SMILES [?]:
CCn1c2ccccc2nc1NC(=O)c3ccc(o3)Cn4c(c(c(n4)C)Cl)C
InChi [?]:
InChI=1/C20H20ClN5O2/c1-4-25-16-8-6-5-7-15(16)22-20(25)23-19(27)17-10-9-14(28-17)11-26-13(3)18(21)12(2)24-26/h5-10H,4,11H2,1-3H3,(H,22,23,27)
InChi Info:
AuxInfo=1/1/N:1,26,28,2,7,6,8,5,17,16,20,24,22,18,9,4,15,23,13,11,27,10,12,25,3,21,14,19/rA:28nCCNCCCCCCNCNCOCCCCOCNCCCNCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3d10;s11;s12;d13;s13;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;s21d24;s24;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN5O2
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3542
Area:623.549
Solvation:-4.23458
Coulombic:-46.5161
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.858
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):2.92

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Descriptor Annotations

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