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Chemical ID: 7672187
Chemical ID:
7672187
Name [?]:
None
SMILES [?]:
CC(C)(C)Cc1nc2c(c(n1)SCC(=O)N)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C15H21N5O3S/c1-15(2,3)6-9-17-11-10(12(18-9)24-7-8(16)21)13(22)20(5)14(23)19(11)4/h6-7H2,1-5H3,(H2,16,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,24,5,13,14,6,9,8,10,17,20,2,16,7,11,22,19,15,18,21,12/E:(1,2,3)/rA:24nCCCCCCNCCCNSCCONCONCONCC/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s9;d17;s17;s19;d20;s8s20;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N5O3S |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.53697 |
Area: | 526.563 |
Solvation: | -3.62709 |
Coulombic: | -69.8066 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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