Chemical ID: 5286487

CC(C)Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(c(c5)Cl)Cl
Chemical ID:
5286487
Name [?]:
None
SMILES [?]:
CC(C)Cc1nnc(s1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(c(c5)Cl)Cl
InChi [?]:
InChI=1/C23H17Cl2N3O3S/c1-11(2)9-17-26-27-23(32-17)28-19(12-7-8-14(24)15(25)10-12)18-20(29)13-5-3-4-6-16(13)31-21(18)22(28)30/h3-8,10-11,19H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,16,19,26,27,4,30,2,25,15,28,29,20,5,12,11,13,22,23,8,32,31,6,7,10,14,24,21,9/E:(1,2)/rA:32cCCCCCNNCSNCCCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s10s22;d23;s11;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17Cl2N3O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.5017
Area:676.134
Solvation:-3.40167
Coulombic:-41.0588
Bond Count [?]
All:36
Single:25
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:486.371
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.07
LogP (Chemaxon):4.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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