Chemical ID: 6632652

c1ccc(c(c1)C(=O)NC2CCCCC2)NC(=O)C(=O)NN=Cc3ccc(cc3)OCC(=O)O
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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