Chemical ID: 7414203

Cc1nnc(s1)N2C(c3c(=O)c4ccc(cc4oc3C2=O)OC)c5ccc(cc5)C(=O)OC
Chemical ID:
7414203
Name [?]:
None
SMILES [?]:
Cc1nnc(s1)N2C(c3c(=O)c4ccc(cc4oc3C2=O)OC)c5ccc(cc5)C(=O)OC
InChi [?]:
InChI=1/C23H17N3O6S/c1-11-24-25-23(33-11)26-18(12-4-6-13(7-5-12)22(29)31-3)17-19(27)15-9-8-14(30-2)10-16(15)32-20(17)21(26)28/h4-10,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,33,25,29,26,28,14,13,16,2,24,27,15,12,17,9,8,10,19,20,30,5,3,4,7,11,21,31,22,32,18,6/E:(4,5)(6,7)/rA:33cCCNNCSNCCCOCCCCCCOCCOOCCCCCCCCOOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s15;s22;s8;s24;d25;s26;d27;d24s28;s27;d30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17N3O6S
All Atoms:50
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.8889
Area:663.891
Solvation:-5.70841
Coulombic:-64.5136
Bond Count [?]
All:37
Single:25
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:463.464
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.35
LogP (Chemaxon):1.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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