Chemical ID: 4678142

Cc1cc2c(cc1C)nc3c(n2)c(nn3c4ccc(cc4)Cl)C(C(COC(=O)C)OC(=O)C)OC(=O)C
Chemical ID:
4678142
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)nc3c(n2)c(nn3c4ccc(cc4)Cl)C(C(COC(=O)C)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C26H25ClN4O6/c1-13-10-20-21(11-14(13)2)29-26-24(28-20)23(30-31(26)19-8-6-18(27)7-9-19)25(37-17(5)34)22(36-16(4)33)12-35-15(3)32/h6-11,22,25H,12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,29,33,37,18,20,17,21,3,6,25,2,7,27,31,35,19,16,4,5,24,13,11,23,10,22,12,9,14,15,28,32,36,26,30,34/E:(6,7)(8,9)/rA:37cCCCCCCCCNCCNCNNCCCCCCClCCCOCOCOCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s4d11;s11;d13;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s13;s23;s24;s25;s26;d27;s27;s24;s30;d31;s31;s23;s34;d35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25ClN4O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:14.1371
Area:765.837
Solvation:-5.00882
Coulombic:-72.0998
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:524.953
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.31
LogP (Chemaxon):4.24

Name Annotations

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Descriptor Annotations

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