Chemical ID: 4575003

CN1CCc2cc3c(c(c2C1CC(=O)c4ccc(cc4)C=Cc5ccccc5)OC)OCO3
Chemical ID:
4575003
Name [?]:
None
SMILES [?]:
CN1CCc2cc3c(c(c2C1CC(=O)c4ccc(cc4)C=Cc5ccccc5)OC)OCO3
InChi [?]:
InChI=1/C28H27NO4/c1-29-15-14-22-16-25-27(33-18-32-25)28(31-2)26(22)23(29)17-24(30)21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-13,16,23H,14-15,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,26,25,27,24,28,22,21,17,19,16,20,4,3,6,12,32,23,18,15,5,11,13,7,10,8,9,2,14,29,33,31/E:(4,5)(6,7)(10,11)(12,13)/rA:33cCNCCCCCCCCCCCOCCCCCCCCCCCCCCOCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;w21;s22;s23;d24;s25;d26;d23s27;s9;s29;s8;s31;s7s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27NO4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:10.7345
Area:640.814
Solvation:-5.2859
Coulombic:-40.0791
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:441.518
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.51
LogP (Chemaxon):4.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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