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Chemical ID: 6632652
Chemical ID:
6632652
Name [?]:
2-[4-[[[2-(cyclohexylcarbamoyl)phenyl]carbamoylformyl]aminoiminomethyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCCCC2)NC(=O)C(=O)NN=Cc3ccc(cc3)OCC(=O)O
InChi [?]:
InChI=1/C24H26N4O6/c29-21(30)15-34-18-12-10-16(11-13-18)14-25-28-24(33)23(32)27-20-9-5-4-8-19(20)22(31)26-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7,15H2,(H,26,31)(H,27,32)(H,28,33)(H,29,30)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,11,15,6,3,25,29,26,28,23,31,24,10,27,5,4,32,7,17,19,22,9,16,21,33,34,8,18,20,30/E:(2,3)(6,7)(10,11)(12,13)(29,30)/rA:34nCCCCCCCONCCCCCCNCOCONNCCCCCCCOCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s4;s16;d17;s17;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s27;s30;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N4O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8347 |
Area: | 720.7 |
Solvation: | -6.18283 |
Coulombic: | -100.385 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 466.487 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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