Chemical ID: 7075460

CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(CC)CC
Chemical ID:
7075460
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(CC)CC
InChi [?]:
InChI=1/C29H36N2O4/c1-4-7-10-20-34-22-16-14-21(15-17-22)26-25-27(32)23-12-8-9-13-24(23)35-28(25)29(33)31(26)19-11-18-30(5-2)6-3/h8-9,12-17,26H,4-7,10-11,18-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,35,2,32,34,3,19,20,4,29,18,21,9,11,8,12,30,28,5,10,7,17,22,14,13,15,24,25,31,27,16,26,6,23/E:(2,3)(5,6)(14,15)(16,17)/rA:35cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCC/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;s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H36N2O4
All Atoms:71
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.7225
Area:773.867
Solvation:-4.62418
Coulombic:-49.2456
Bond Count [?]
All:38
Single:29
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:476.607
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.31
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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