Chemical ID: 5656152

CN1CCc2c(sc3c2c(=O)n(c(n3)S)Cc4ccccc4)C1
Chemical ID:
5656152
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)S)Cc4ccccc4)C1
InChi [?]:
InChI=1/C17H17N3OS2/c1-19-8-7-12-13(10-19)23-15-14(12)16(21)20(17(22)18-15)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,4,3,16,23,17,5,6,9,8,10,13,14,2,12,11,15,7/E:(3,4)(5,6)/rA:23cCNCCCCSCCCONCNSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s12;s16;s17;d18;s19;d20;d17s21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3OS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.5764
Area:502.536
Solvation:-1.98699
Coulombic:-31.2487
Bond Count [?]
All:26
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:343.469
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.43
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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