Chemical ID: 7727396

CCn1c(=O)c2c(nc1SCC(=O)Nc3ccccc3)CCS2
Chemical ID:
7727396
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccccc3)CCS2
InChi [?]:
InChI=1/C16H17N3O2S2/c1-2-19-15(21)14-12(8-9-22-14)18-16(19)23-10-13(20)17-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,16,20,21,22,11,15,7,12,6,4,9,14,8,3,13,5,23,10/E:(4,5)(6,7)/rA:23nCCNCOCCNCSCCONCCCCCCCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s7;s21;s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O2S2
All Atoms:40
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:10.216
Area:543.137
Solvation:-3.36237
Coulombic:-43.4684
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.59
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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