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Chemical ID: 4856143
Chemical ID:
4856143
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Cl)c5nccs5
InChi [?]:
InChI=1/C20H11ClN2O3S/c21-12-5-3-4-11(10-12)16-15-17(24)13-6-1-2-7-14(13)26-18(15)19(25)23(16)20-22-8-9-27-20/h1-10,16H
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,6,3,25,26,21,16,20,5,4,9,15,7,10,12,23,22,24,14,8,13,11,27/rA:27cCCCCCCCOCCOCONCCCCCCCClCNCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s14;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11ClN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5092 |
Area: | 561.054 |
Solvation: | -3.51712 |
Coulombic: | -41.2176 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 394.832 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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