Chemical ID: 4907190

CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)OC(=O)C
Chemical ID:
4907190
Name [?]:
None
SMILES [?]:
CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)OC(=O)C
InChi [?]:
InChI=1/C22H18N2O5/c1-3-22(29-12(2)25)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-28-21(22)27/h4-9H,3,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,22,21,23,20,25,5,15,11,27,24,16,10,4,19,6,17,8,13,3,18,7,28,9,14,12,26/rA:29cCCCCCCNCOCCOCOCCCNCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;s7;d8;d4s8;s10;s11;s3s12;d13;s7;s15;s6s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s3;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.5751
Area:560.699
Solvation:-4.44238
Coulombic:-59.9802
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:390.389
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.76
LogP (Chemaxon):2.22

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Descriptor Annotations

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