Chemical ID: 7075549

CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(C)C
Chemical ID:
7075549
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(C)C
InChi [?]:
InChI=1/C27H32N2O4/c1-4-5-8-18-32-20-14-12-19(13-15-20)24-23-25(30)21-10-6-7-11-22(21)33-26(23)27(31)29(24)17-9-16-28(2)3/h6-7,10-15,24H,4-5,8-9,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,33,2,3,19,20,4,29,18,21,9,11,8,12,30,28,5,10,7,17,22,14,13,15,24,25,31,27,16,26,6,23/E:(2,3)(12,13)(14,15)/rA:33cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32N2O4
All Atoms:65
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.3494
Area:726.868
Solvation:-4.8223
Coulombic:-48.7602
Bond Count [?]
All:36
Single:27
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.554
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.46
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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