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Chemical ID: 7712584
Chemical ID:
7712584
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2ccccc2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13ClN2O2S/c1-11-16(15(22)12-7-9-14(19)10-8-12)24-18(20-11)21-17(23)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,19,23,20,22,2,18,10,21,16,3,8,5,24,6,7,17,9,4/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCSCNNCOCCCCCCCOCCCCCCCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s3;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClN2O2S |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7708 |
Area: | 555.047 |
Solvation: | -3.10536 |
Coulombic: | -37.579 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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