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Chemical ID: 5883218
Chemical ID:
5883218
Name [?]:
2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)N(CC)CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C
InChi [?]:
InChI=1/C27H35N5O2/c1-7-20-11-9-10-12-22(20)28-26(34)31(8-2)18-25(33)29-24-17-23(27(4,5)6)30-32(24)21-15-13-19(3)14-16-21/h9-17H,7-8,18H2,1-6H3,(H,28,34)(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,14,30,32,33,34,2,13,5,6,4,7,26,28,25,29,20,15,27,3,24,8,21,19,16,10,31,9,18,22,12,23,17,11/E:(4,5,6)(13,14)(15,16)/rA:34nCCCCCCCCNCONCCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s12;s15;d16;s16;s18;d19;s20;d21;s19s22;s23;s24;d25;s26;d27;d24s28;s27;s21;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H35N5O2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.4453 |
Area: | 735.002 |
Solvation: | -3.92977 |
Coulombic: | -57.4461 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 461.599 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.87 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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