Chemical ID: 7080004

CCCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)C
Chemical ID:
7080004
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)C
InChi [?]:
InChI=1/C28H34N2O4/c1-5-6-7-17-33-21-12-10-20(11-13-21)25-24-26(31)22-18-19(2)9-14-23(22)34-27(24)28(32)30(25)16-8-15-29(3)4/h9-14,18,25H,5-8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,32,33,2,3,4,29,20,9,11,8,12,21,30,28,5,18,19,10,7,17,22,14,13,15,24,25,31,27,16,26,6,23/E:(3,4)(10,11)(12,13)/rA:34cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;s31;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34N2O4
All Atoms:68
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.0367
Area:747.163
Solvation:-4.64236
Coulombic:-48.673
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:462.581
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.9
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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