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Chemical ID: 5986632
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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