Chemical ID: 5297088

c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCCN5CCCCC5
Chemical ID:
5297088
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCCN5CCCCC5
InChi [?]:
InChI=1/C23H25N5S/c1-3-9-18(10-4-1)17-28-20-12-6-5-11-19(20)21-22(28)24-23(26-25-21)29-16-15-27-13-7-2-8-14-27/h1,3-6,9-12H,2,7-8,13-17H2
InChi Info:
AuxInfo=1/0/N:1,27,2,6,12,11,26,28,3,5,13,10,25,29,23,22,7,4,14,9,15,16,18,17,20,19,24,8,21/E:(3,4)(7,8)(9,10)(13,14)/rA:29nCCCCCCCNCCCCCCCCNCNNSCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s17;d18;d15s19;s18;s21;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.8322
Area:630.773
Solvation:-1.93712
Coulombic:-26.9027
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:403.544
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.21
LogP (Chemaxon):5.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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