Chemical ID: 4859095

Cc1c(sc(n1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(c(c5)Cl)Cl)C
Chemical ID:
4859095
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(c(c5)Cl)Cl)C
InChi [?]:
InChI=1/C22H14Cl2N2O3S/c1-10-11(2)30-22(25-10)26-18(12-7-8-14(23)15(24)9-12)17-19(27)13-5-3-4-6-16(13)29-20(17)21(26)28/h3-9,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,14,15,13,16,23,24,27,2,3,22,12,25,26,17,9,8,10,19,20,5,29,28,6,7,11,21,18,4/rA:30cCCCSCNNCCCOCCCCCCOCCOCCCCCCClClC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s26;s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14Cl2N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.2514
Area:626.551
Solvation:-3.41241
Coulombic:-41.3455
Bond Count [?]
All:34
Single:23
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:457.33
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):4.8

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Descriptor Annotations

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