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Chemical ID: 5808845
Chemical ID:
5808845
Name [?]:
N-cyclohexyl-4-methyl-2,6-dioxo-3H-pyrimidine-5-sulfonamide
SMILES [?]:
Cc1c(c(=O)[nH]c(=O)[nH]1)S(=O)(=O)NC2CCCCC2
InChi [?]:
InChI=1/C11H17N3O4S/c1-7-9(10(15)13-11(16)12-7)19(17,18)14-8-5-3-2-4-6-8/h8,14H,2-6H2,1H3,(H2,12,13,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,2,14,3,4,7,9,6,13,5,8,11,12,10/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCONCONSOONCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s2s7;s3;d10;d10;s10;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75647 |
Area: | 431.399 |
Solvation: | -3.02851 |
Coulombic: | -53.8391 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 287.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.04 |
LogP (Chemaxon): | 0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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