Chemical ID: 4568854

CC(C)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCCN6CCOCC6
Chemical ID:
4568854
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCCN6CCOCC6
InChi [?]:
InChI=1/C30H36N4O3/c1-20(2)21-8-10-22(11-9-21)29-28-24(23-6-3-4-7-25(23)31-28)18-26-30(36)33(19-27(35)34(26)29)13-5-12-32-14-16-37-17-15-32/h3-4,6-11,20,26,29,31H,5,12-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,30,14,17,5,9,6,8,31,29,33,37,34,36,20,25,2,4,7,13,12,18,21,23,11,10,27,19,32,26,22,24,28,35/E:(1,2)(8,9)(10,11)(14,15)(16,17)/rA:37cCCCCCCCCCCCCCCCCCCNCCNCOCNCOCCCNCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s12;s20;s10s21;s22;d23;s23;s25;s21s26;d27;s26;s29;s30;s31;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H36N4O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:12.9849
Area:735.792
Solvation:-5.40995
Coulombic:-58.9092
Bond Count [?]
All:42
Single:33
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:500.632
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.16
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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