Chemical ID: 5139379

CCn1c(=O)c2c3c(sc2[nH]c1=S)CN(CC3)C
Chemical ID:
5139379
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c3c(sc2[nH]c1=S)CN(CC3)C
InChi [?]:
InChI=1/C12H15N3OS2/c1-3-15-11(16)9-7-4-5-14(2)6-8(7)18-10(9)13-12(15)17/h3-6H2,1-2H3,(H,13,17)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,16,14,7,8,6,10,4,12,11,15,3,5,13,9/rA:18cCCNCOCCCSCNCSCNCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s3s11;d12;s8;s14;s15;s7s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N3OS2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.25359
Area:432.042
Solvation:-1.54747
Coulombic:-34.4055
Bond Count [?]
All:20
Single:16
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:281.399
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.43
LogP (Chemaxon):1.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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