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Chemical ID: 5884935
Chemical ID:
5884935
Name [?]:
3,5-dimethoxy-N-[[2-(m-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-pentyl-benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1cc(nn1c2cccc(c2)C)C(C)(C)C)C(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C30H40N4O4/c1-8-9-10-14-33(29(36)22-16-24(37-6)18-25(17-22)38-7)20-28(35)31-27-19-26(30(3,4)5)32-34(27)23-13-11-12-21(2)15-23/h11-13,15-19H,8-10,14,20H2,1-7H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,22,24,25,26,36,38,2,3,4,18,19,17,5,21,34,30,32,12,7,20,29,16,33,31,13,11,8,27,23,10,14,6,15,9,28,35,37/E:(3,4,5)(6,7)(16,17)(24,25)(37,38)/rA:38nCCCCCNCCONCCCNNCCCCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s20;s13;s23;s23;s23;s6;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;s31;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H40N4O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6319 |
Area: | 805.279 |
Solvation: | -6.50008 |
Coulombic: | -57.6053 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 520.663 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.02 |
LogP (Chemaxon): | 5.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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