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Chemical ID: 5175606
Chemical ID:
5175606
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C19H18N2O3S2/c1-24-12-8-6-11(7-9-12)14(22)10-25-19-20-17(23)16-13-4-2-3-5-15(13)26-18(16)21-19/h6-9H,2-5,10H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,5,7,4,8,11,6,3,18,9,19,17,15,21,13,14,22,10,16,2,12,20/E:(6,7)(8,9)/rA:26nCOCCCCCCCOCSCNCOCCCSCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;d15;s15;s17;d18;s19;d17s20;d13s21;s19;s23;s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6121 |
Area: | 586.149 |
Solvation: | -4.04161 |
Coulombic: | -42.8899 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.15 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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