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Chemical ID: 7723599
Chemical ID:
7723599
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1sc(=NC(=O)C3COc4ccccc4O3)n2C)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-11-8-9-14(23-3)16-17(11)26-19(21(16)2)20-18(22)15-10-24-12-6-4-5-7-13(12)25-15/h4-9,15H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,26,18,19,17,20,3,4,14,2,16,21,5,13,6,7,11,9,10,23,12,25,15,22,8/rA:26cCCCCCCCSCNCOCCOCCCCCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;s6s9;s23;s5;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.28168 |
Area: | 549.19 |
Solvation: | -4.44806 |
Coulombic: | -48.8557 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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