Chemical ID: 4596475

CC1CCc2c(c3c(=O)[nH]c(nc3s2)SCC=C)C1
Chemical ID:
4596475
Name [?]:
None
SMILES [?]:
CC1CCc2c(c3c(=O)[nH]c(nc3s2)SCC=C)C1
InChi [?]:
InChI=1/C14H16N2OS2/c1-3-6-18-14-15-12(17)11-9-7-8(2)4-5-10(9)19-13(11)16-14/h3,8H,1,4-7H2,2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:18,1,17,3,4,16,19,2,6,5,7,8,13,11,10,12,9,15,14/rA:19cCCCCCCCCONCNCSSCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s8;s10;d11;d7s12;s5s13;s11;s15;s16;d17;s2s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2OS2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.566
Area:471.19
Solvation:-1.21371
Coulombic:-30.3568
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.422
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.03
LogP (Chemaxon):4.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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