Chemical ID: 6825888

COc1cc(ccc1OCC=C)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
Chemical ID:
6825888
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OCC=C)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C29H23NO7/c1-3-12-34-21-11-9-18(14-23(21)33-2)26-25-27(31)19-6-4-5-7-20(19)37-28(25)29(32)30(26)15-17-8-10-22-24(13-17)36-16-35-22/h3-11,13-14,26H,1,12,15-16H2,2H3
InChi Info:
AuxInfo=1/0/N:12,1,11,19,20,18,21,30,6,31,7,10,34,4,28,36,29,5,17,22,8,32,3,33,14,13,15,24,25,27,16,26,2,9,37,35,23/rA:37cCOCCCCCCOCCCCCCOCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s5;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;d30;s31;d32;d29s33;s33;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H23NO7
All Atoms:60
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:8.03215
Area:645.946
Solvation:-8.1165
Coulombic:-67.3271
Bond Count [?]
All:42
Single:29
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:497.495
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.06
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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