Chemical ID: 4555720

c1ccc(cc1)COC(=O)NCCCCCC(=O)Oc2ccc3c(c2)oc(=O)c4c3CCC4
Chemical ID:
4555720
Name [?]:
None
SMILES [?]:
c1ccc(cc1)COC(=O)NCCCCCC(=O)Oc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C26H27NO6/c28-24(12-5-2-6-15-27-26(30)31-17-18-8-3-1-4-9-18)32-19-13-14-21-20-10-7-11-22(20)25(29)33-23(21)16-19/h1,3-4,8-9,13-14,16H,2,5-7,10-12,15,17H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,15,13,32,3,5,31,33,16,21,22,12,25,7,4,20,30,23,29,24,17,27,9,11,18,28,10,8,19,26/E:(3,4)(8,9)/rA:33nCCCCCCCOCONCCCCCCOOCCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;d27;s27;s23d29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27NO6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.1426
Area:739.158
Solvation:-4.33639
Coulombic:-72.0287
Bond Count [?]
All:36
Single:26
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:449.496
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.36
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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