Chemical ID: 7080815

CCCCOc1ccc(cc1OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
Chemical ID:
7080815
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
InChi [?]:
InChI=1/C31H31NO5/c1-4-5-17-36-25-14-12-22(19-26(25)35-3)28-27-29(33)23-18-20(2)11-13-24(23)37-30(27)31(34)32(28)16-15-21-9-7-6-8-10-21/h6-14,18-19,28H,4-5,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,13,2,3,34,33,35,32,36,21,8,22,7,30,29,4,19,10,20,31,9,18,23,6,11,15,14,16,25,26,28,17,27,12,5,24/E:(7,8)(9,10)/rA:37cCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;d32;s33;d34;d31s35;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H31NO5
All Atoms:68
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:12.6841
Area:771.435
Solvation:-6.60177
Coulombic:-51.4928
Bond Count [?]
All:41
Single:29
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:497.582
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.64
LogP (Chemaxon):5.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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