Chemical ID: 5986632

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NCCCN4CCOCC4
Chemical ID:
5986632
Name [?]:
5-(2,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)-N-(3-morpholinopropyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)NCCCN4CCOCC4
InChi [?]:
InChI=1/C27H34N4O4/c1-19-6-9-24(20(2)16-19)31-25(27(32)28-10-5-11-30-12-14-35-15-13-30)18-23(29-31)22-8-7-21(33-3)17-26(22)34-4/h6-9,16-18H,5,10-15H2,1-4H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,8,23,21,28,3,16,15,4,27,29,31,35,32,34,7,18,11,2,6,17,14,12,5,10,19,24,26,13,30,9,25,22,20,33/E:(12,13)(14,15)/rA:35nCCCCCCCCNCCCNCCCCCCOCOCCONCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s10;d24;s24;s26;s27;s28;s29;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N4O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:10.8049
Area:718.444
Solvation:-7.15619
Coulombic:-54.4452
Bond Count [?]
All:38
Single:29
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:478.583
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.74
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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