Chemical ID: 5270935

Cc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5ccc(cc5)OC
Chemical ID:
5270935
Name [?]:
None
SMILES [?]:
Cc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5ccc(cc5)OC
InChi [?]:
InChI=1/C21H14ClN3O4S/c1-10-23-24-21(30-10)25-17(11-3-6-13(28-2)7-4-11)16-18(26)14-9-12(22)5-8-15(14)29-19(16)20(25)27/h3-9,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,24,28,15,25,27,16,13,2,23,14,26,12,17,9,8,10,19,20,5,22,3,4,7,11,21,29,18,6/E:(3,4)(6,7)/rA:30cCCNNCSNCCCOCCCCCCOCCOClCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14ClN3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.643
Area:621.195
Solvation:-4.88682
Coulombic:-45.4818
Bond Count [?]
All:34
Single:23
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:439.872
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.03
LogP (Chemaxon):2.81

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Descriptor Annotations

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