Chemical ID: 4970363

Cc1ccc(cc1)C(=NNc2c3c4c(sc3ncn2)CCCC4)C
Chemical ID:
4970363
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=NNc2c3c4c(sc3ncn2)CCCC4)C
InChi [?]:
InChI=1/C19H20N4S/c1-12-7-9-14(10-8-12)13(2)22-23-18-17-15-5-3-4-6-16(15)24-19(17)21-11-20-18/h7-11H,3-6H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,22,21,23,20,3,7,4,6,18,2,8,5,13,14,12,11,16,19,17,9,10,15/E:(7,8)(9,10)/rA:24nCCCCCCCCNNCCCCSCNCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;s12;d13;s14;d12s15;s16;d17;d11s18;s14;s20;s21;s13s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6233
Area:514.316
Solvation:-2.23461
Coulombic:-21.9226
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:336.455
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.59
LogP (Chemaxon):4.77

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Descriptor Annotations

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