Chemical ID: 7385241

CC1CC2=C(C(N(c3ccccc3N2)C(=O)c4ccc(cc4)OC)c5ccc(cc5)OC)C(=O)C1
Chemical ID:
7385241
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(N(c3ccccc3N2)C(=O)c4ccc(cc4)OC)c5ccc(cc5)OC)C(=O)C1
InChi [?]:
InChI=1/C29H28N2O4/c1-18-16-24-27(26(32)17-18)28(19-8-12-21(34-2)13-9-19)31(25-7-5-4-6-23(25)30-24)29(33)20-10-14-22(35-3)15-11-20/h4-15,18,28,30H,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,24,11,10,12,9,26,30,18,22,27,29,19,21,3,35,2,25,17,28,20,13,4,8,33,5,6,15,14,7,34,16,31,23/E:(8,9)(10,11)(12,13)(14,15)/rA:35cCCCCCCNCCCCCCNCOCCCCCCOCCCCCCCOCCOC/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;s28;s31;s5;d33;s2s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H28N2O4
All Atoms:63
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:10.2239
Area:644.468
Solvation:-5.88783
Coulombic:-51.4753
Bond Count [?]
All:39
Single:27
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:468.544
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.77
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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