Chemical ID: 6646811

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3cc(ccc3C)C(C)C
Chemical ID:
6646811
Name [?]:
[4-[[2-(5-isopropyl-2-methyl-phenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3cc(ccc3C)C(C)C
InChi [?]:
InChI=1/C28H30N2O5/c1-18(2)23-12-8-20(4)25(15-23)34-17-27(31)30-29-16-21-9-13-24(26(14-21)33-5)35-28(32)22-10-6-19(3)7-11-22/h6-16,18H,17H2,1-5H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:34,35,1,32,18,3,7,30,13,4,6,29,12,15,27,19,24,33,2,31,14,5,28,11,26,16,22,8,20,21,23,9,17,25,10/E:(1,2)(6,7)(10,11)/rA:35nCCCCCCCCOOCCCCCCOCCNNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s31;s28;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30N2O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.7782
Area:767.072
Solvation:-7.3986
Coulombic:-54.6583
Bond Count [?]
All:37
Single:25
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:474.548
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.89
LogP (Chemaxon):6.12

Name Annotations

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Descriptor Annotations

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