Chemical ID: 5882186

CCCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)Nc2cc(nn2c3ccc(cc3)OC)C(C)(C)C
Chemical ID:
5882186
Name [?]:
4-hexyl-N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)Nc2cc(nn2c3ccc(cc3)OC)C(C)(C)C
InChi [?]:
InChI=1/C32H44N4O3/c1-7-9-10-11-12-24-13-15-25(16-14-24)31(38)35(21-8-2)23-30(37)33-29-22-28(32(3,4)5)34-36(29)26-17-19-27(39-6)20-18-26/h13-20,22H,7-12,21,23H2,1-6H3,(H,33,37)
InChi Info:
AuxInfo=1/1/N:1,18,37,38,39,35,2,17,3,4,5,6,8,12,9,11,29,33,30,32,16,24,19,7,10,28,31,25,23,20,13,36,22,26,15,27,21,14,34/E:(3,4,5)(13,14)(15,16)(17,18)(19,20)/rA:39nCCCCCCCCCCCCCONCCCCCONCCCNNCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s15;s19;d20;s20;s22;d23;s24;d25;s23s26;s27;s28;d29;s30;d31;d28s32;s31;s34;s25;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H44N4O3
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:16.5411
Area:864.246
Solvation:-5.06508
Coulombic:-53.088
Bond Count [?]
All:41
Single:31
Double:10
Rotors:16
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:532.717
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.7
LogP (Chemaxon):7.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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