Chemical ID: 4383024

c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCc5ccccc5
Chemical ID:
4383024
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCc5ccccc5
InChi [?]:
InChI=1/C23H18N4S/c1-3-9-17(10-4-1)15-27-20-14-8-7-13-19(20)21-22(27)24-23(26-25-21)28-16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,12,11,3,5,24,28,13,10,7,22,4,23,14,9,15,16,18,17,20,19,8,21/E:(3,4)(5,6)(9,10)(11,12)/rA:28nCCCCCCCNCCCCCCCCNCNNSCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.1523
Area:599.169
Solvation:-1.82689
Coulombic:-23.5639
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.482
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.0
LogP (Chemaxon):6.24

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Experimental Annotations

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Descriptor Annotations

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