Chemical ID: 5528918

CCCc1ccc(cc1)C(=O)C(C)OC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
Chemical ID:
5528918
Name [?]:
None
SMILES [?]:
CCCc1ccc(cc1)C(=O)C(C)OC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
InChi [?]:
InChI=1/C24H24N2O4/c1-3-5-16-7-9-17(10-8-16)22(27)15(2)30-24(29)18-11-12-19-20(14-18)25-21-6-4-13-26(21)23(19)28/h7-12,14-15H,3-6,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,29,3,30,5,9,6,8,18,19,28,22,12,4,7,17,20,21,24,10,26,15,23,25,11,27,16,14/E:(7,8)(9,10)/rA:30cCCCCCCCCCCOCCOCOCCCCCCNCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;d23;s24;s20s25;d26;s25;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.4189
Area:649.74
Solvation:-3.82461
Coulombic:-51.1173
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.458
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.31
LogP (Chemaxon):3.72

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Experimental Annotations

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Descriptor Annotations

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