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Chemical ID: 7694876
Chemical ID:
7694876
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)c2nnc3n2nc(cc3)SC(C(=O)C)C(=O)N(C)C
InChi [?]:
InChI=1/C19H21N5O3S/c1-5-27-14-8-6-13(7-9-14)18-21-20-15-10-11-16(22-24(15)18)28-17(12(2)25)19(26)23(3)4/h6-11,17H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,27,28,2,6,8,5,9,18,17,21,7,4,13,16,20,10,24,12,11,15,26,14,22,25,3,19/E:(3,4)(6,7)(8,9)/rA:28cCCOCCCCCCCNNCNNCCCSCCOCCONCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;d12;s10s13;s14;d15;s16;s13d17;s16;s19;s20;d21;s21;s20;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5O3S |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.82879 |
Area: | 576.374 |
Solvation: | -4.58056 |
Coulombic: | -41.9706 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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