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Chemical ID: 5885361
Chemical ID:
5885361
Name [?]:
2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(m-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCOC)C(=O)Nc3ccc(cc3C)C
InChi [?]:
InChI=1/C28H37N5O3/c1-19-9-8-10-22(16-19)33-25(17-24(31-33)28(4,5)6)30-26(34)18-32(13-14-36-7)27(35)29-23-12-11-20(2)15-21(23)3/h8-12,15-17H,13-14,18H2,1-7H3,(H,29,35)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,36,35,14,15,16,25,4,3,5,31,30,22,23,33,7,10,20,2,32,34,6,29,11,9,18,26,13,28,17,12,21,8,19,27,24/E:(4,5,6)/rA:36nCCCCCCCNCCCNCCCCNCOCNCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;s13;s13;s9;s17;d18;s18;s20;s21;s22;s23;s24;s21;d26;s26;s28;s29;d30;s31;d32;d29s33;s34;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H37N5O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6768 |
Area: | 774.499 |
Solvation: | -5.68574 |
Coulombic: | -63.7599 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 491.625 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.23 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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