Chemical ID: 7217807

Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4ccc(o4)COc5ccc(cc5)OC
Chemical ID:
7217807
Name [?]:
None
SMILES [?]:
Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4ccc(o4)COc5ccc(cc5)OC
InChi [?]:
InChI=1/C22H18N4O5S/c1-12-17-20-24-19(25-26(20)11-23-21(17)32-18(12)22(27)29-3)16-9-8-15(31-16)10-30-14-6-4-13(28-2)5-7-14/h4-9,11H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,17,27,29,26,30,20,19,23,9,2,28,25,21,18,3,13,6,4,11,14,10,5,7,8,15,31,16,24,22,12/E:(4,5)(6,7)/rA:32nCCCCNCNNCNCSCCOOCCCCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;d3s10;s11;d2s12;s13;d14;s14;s16;s6;d18;s19;d20;s18s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N4O5S
All Atoms:50
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.9232
Area:678.308
Solvation:-6.03446
Coulombic:-59.7297
Bond Count [?]
All:36
Single:25
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.468
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.49
LogP (Chemaxon):3.37

Name Annotations

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Descriptor Annotations

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