Chemical ID: 6825907

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCCC(C)C)Cc5ccc6c(c5)OCO6
Chemical ID:
6825907
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCCC(C)C)Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C31H29NO6/c1-18(2)11-12-35-22-6-4-5-21(15-22)28-27-29(33)23-13-19(3)7-9-24(23)38-30(27)31(34)32(28)16-20-8-10-25-26(14-20)37-17-36-25/h4-10,13-15,18,28H,11-12,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:27,28,1,19,18,20,3,31,4,32,25,24,7,35,22,29,37,26,2,30,17,21,6,5,33,34,10,16,8,11,13,15,9,14,23,38,36,12/E:(1,2)/rA:38cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;s26;s26;s15;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H29NO6
All Atoms:67
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.9928
Area:708.686
Solvation:-5.72435
Coulombic:-60.5794
Bond Count [?]
All:43
Single:31
Double:12
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:511.565
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.1
LogP (Chemaxon):5.87

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Descriptor Annotations

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