Chemical ID: 7080245

CCOc1cc(ccc1OCc2ccccc2)C3c4c(=O)c5cc(ccc5oc4C(=O)N3CCOC)C
Chemical ID:
7080245
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C3c4c(=O)c5cc(ccc5oc4C(=O)N3CCOC)C
InChi [?]:
InChI=1/C30H29NO6/c1-4-35-25-17-21(11-13-24(25)36-18-20-8-6-5-7-9-20)27-26-28(32)22-16-19(2)10-12-23(22)37-29(26)30(33)31(27)14-15-34-3/h5-13,16-17,27H,4,14-15,18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,36,2,15,14,16,13,17,25,7,26,8,33,34,23,5,11,24,12,6,22,27,9,4,19,18,20,29,30,32,21,31,35,3,10,28/E:(6,7)(8,9)/rA:37cCCOCCCCCCOCCCCCCCCCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;d19s28;s29;d30;s18s30;s32;s33;s34;s35;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H29NO6
All Atoms:66
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.2707
Area:757.52
Solvation:-7.66734
Coulombic:-58.7363
Bond Count [?]
All:41
Single:29
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:499.554
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.36
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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