Chemical ID: 4702121

COc1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)C4C5c6ccccc6C(C4C3=O)c7c5cccc7
Chemical ID:
4702121
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)C4C5c6ccccc6C(C4C3=O)c7c5cccc7
InChi [?]:
InChI=1/C32H24N2O4/c1-38-21-16-12-19(13-17-21)33-30(35)18-10-14-20(15-11-18)34-31(36)28-26-22-6-2-3-7-23(22)27(29(28)32(34)37)25-9-5-4-8-24(25)26/h2-17,26-29H,1H3,(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,25,26,36,37,24,27,35,38,13,17,5,7,14,16,4,8,12,6,15,3,23,28,34,33,22,29,21,30,10,19,31,9,18,11,20,32,2/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(22,23,24,25)(26,27)(28,29)(31,32)(36,37)/rA:38cCOCCCCCCNCOCCCCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s21s29;s18s30;d31;s29;s22s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H24N2O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:2
ZAP Information [?]
Total:11.7807
Area:700.741
Solvation:-5.73782
Coulombic:-54.0933
Bond Count [?]
All:44
Single:29
Double:15
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:500.544
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.04
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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