Chemical ID: 7080156

CCCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
Chemical ID:
7080156
Name [?]:
None
SMILES [?]:
CCCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C27H31ClN2O4/c1-4-5-6-15-33-20-10-7-9-18(16-20)24-23-25(31)21-17-19(28)11-12-22(21)34-26(23)27(32)30(24)14-8-13-29(2)3/h7,9-12,16-17,24H,4-6,8,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,33,2,3,4,9,29,10,8,20,21,30,28,5,12,18,11,19,7,17,22,14,13,15,24,25,34,31,27,16,26,6,23/E:(2,3)/rA:34cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;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:C27H31ClN2O4
All Atoms:65
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.1568
Area:760.749
Solvation:-4.86189
Coulombic:-48.3103
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:482.999
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.09
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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