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Chemical ID: 5884636
Chemical ID:
5884636
Name [?]:
N-[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]-2-(ethylcarbamoyl-(2-furylmethyl)amino)-acetamide
SMILES [?]:
CCNC(=O)N(Cc1ccco1)CC(=O)Nc2cc(nn2c3ccc(cc3C)C)C(C)(C)C
InChi [?]:
InChI=1/C25H33N5O3/c1-7-26-24(32)29(15-19-9-8-12-33-19)16-23(31)27-22-14-21(25(4,5)6)28-30(22)20-11-10-17(2)13-18(20)3/h8-14H,7,15-16H2,1-6H3,(H,26,32)(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,29,28,31,32,33,2,10,9,24,23,11,26,18,7,13,25,27,8,22,19,17,14,4,30,3,16,20,6,21,15,5,12/E:(4,5,6)/rA:33nCCNCONCCCCCOCCONCCCNNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;s6;s13;d14;s14;s16;d17;s18;d19;s17s20;s21;s22;d23;s24;d25;d22s26;s27;s25;s19;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33N5O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.049 |
Area: | 720.952 |
Solvation: | -4.97476 |
Coulombic: | -62.7241 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 451.561 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.25 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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