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Chemical ID: 7626305
Chemical ID:
7626305
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)c1c2n(cn1)-c3ccsc3C(=O)N(C2)C
InChi [?]:
InChI=1/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,14,15,21,11,13,9,8,17,18,6,2,12,20,10,19,7,5,16/E:(1,2,3)/rA:22nCCCCOCOCCNCNCCCSCCONCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s8d11;s10;s13;d14;s15;d13s16;s17;d18;s18;s9s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3O3S |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.36233 |
Area: | 487.336 |
Solvation: | -2.82106 |
Coulombic: | -48.9062 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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