Chemical ID: 7391210

CC1CC2=C(C(N(c3ccccc3N2)C(=O)c4ccc(cc4)OC)c5ccccc5)C(=O)C1
Chemical ID:
7391210
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(N(c3ccccc3N2)C(=O)c4ccc(cc4)OC)c5ccccc5)C(=O)C1
InChi [?]:
InChI=1/C28H26N2O3/c1-18-16-23-26(25(31)17-18)27(19-8-4-3-5-9-19)30(24-11-7-6-10-22(24)29-23)28(32)20-12-14-21(33-2)15-13-20/h3-15,18,27,29H,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,28,27,29,11,10,26,30,12,9,18,22,19,21,3,33,2,25,17,20,13,4,8,31,5,6,15,14,7,32,16,23/E:(4,5)(8,9)(12,13)(14,15)/rA:33cCCCCCCNCCCCCCNCOCCCCCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s6;s25;d26;s27;d28;d25s29;s5;d31;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N2O3
All Atoms:59
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:10.56
Area:608.78
Solvation:-4.65956
Coulombic:-45.0846
Bond Count [?]
All:37
Single:25
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:438.518
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.86
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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