Chemical ID: 7080195

CCOc1cc(ccc1OCc2ccccc2)C3c4c(=O)c5ccccc5oc4C(=O)N3CCOC
Chemical ID:
7080195
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C3c4c(=O)c5ccccc5oc4C(=O)N3CCOC
InChi [?]:
InChI=1/C29H27NO6/c1-3-34-24-17-20(13-14-23(24)35-18-19-9-5-4-6-10-19)26-25-27(31)21-11-7-8-12-22(21)36-28(25)29(32)30(26)15-16-33-2/h4-14,17,26H,3,15-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,15,14,16,24,25,13,17,23,26,7,8,33,34,5,11,12,6,22,27,9,4,19,18,20,29,30,32,21,31,35,3,10,28/E:(5,6)(9,10)/rA:36cCCOCCCCCCOCCCCCCCCCCOCCCCCCOCCONCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27NO6
All Atoms:63
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.6831
Area:734.905
Solvation:-7.68957
Coulombic:-58.9561
Bond Count [?]
All:40
Single:28
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:485.528
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.92
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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