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Chemical ID: 7688272
Chemical ID:
7688272
Name [?]:
None
SMILES [?]:
CCSc1[nH]c(=O)c2c(n1)NC(=O)CC2c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C18H21N3O5S/c1-5-27-18-20-16-14(17(23)21-18)10(8-13(22)19-16)9-6-11(24-2)15(26-4)12(7-9)25-3/h6-7,10H,5,8H2,1-4H3,(H2,19,20,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,27,25,2,21,17,14,16,15,20,18,12,8,19,9,6,4,11,10,5,13,7,22,26,24,3/E:(2,3)(6,7)(11,12)(24,25)/rA:27cCCSCNCOCCNNCOCCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;d4s9;s9;s11;d12;s12;s8s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O5S |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.66597 |
Area: | 577.82 |
Solvation: | -7.77954 |
Coulombic: | -66.1041 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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