Chemical ID: 7080493

CCCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
Chemical ID:
7080493
Name [?]:
None
SMILES [?]:
CCCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C27H31NO5/c1-3-4-5-8-18-32-20-14-12-19(13-15-20)24-23-25(29)21-10-6-7-11-22(21)33-26(23)27(30)28(24)16-9-17-31-2/h6-7,10-15,24H,3-5,8-9,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,3,4,20,21,5,30,19,22,10,12,9,13,29,31,6,11,8,18,23,15,14,16,25,26,28,17,27,32,7,24/E:(12,13)(14,15)/rA:33cCCCCCCOCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO5
All Atoms:64
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.3899
Area:728.327
Solvation:-5.81823
Coulombic:-51.7423
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:449.539
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.99
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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