Chemical ID: 5546711

c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCC(=O)c5ccccc5
Chemical ID:
5546711
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCC(=O)c5ccccc5
InChi [?]:
InChI=1/C24H18N4OS/c29-21(18-11-5-2-6-12-18)16-30-24-25-23-22(26-27-24)19-13-7-8-14-20(19)28(23)15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,28,2,6,27,29,12,11,3,5,26,30,13,10,7,22,4,25,14,9,23,15,16,18,17,20,19,8,24,21/E:(3,4)(5,6)(9,10)(11,12)/rA:30nCCCCCCCNCCCCCCCCNCNNSCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.8185
Area:632.798
Solvation:-3.00146
Coulombic:-30.2113
Bond Count [?]
All:34
Single:21
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:410.492
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.61
LogP (Chemaxon):5.31

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Descriptor Annotations

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