Chemical ID: 4759691

CC(C)c1ccc(cc1)C2C3CSc4ccccc4C3=Nc5ccccc5S2
Chemical ID:
4759691
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2C3CSc4ccccc4C3=Nc5ccccc5S2
InChi [?]:
InChI=1/C25H23NS2/c1-16(2)17-11-13-18(14-12-17)25-20-15-27-22-9-5-3-7-19(22)24(20)26-21-8-4-6-10-23(21)28-25/h3-14,16,20,25H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,24,16,25,18,23,15,26,5,9,6,8,12,2,4,7,19,11,22,14,27,20,10,21,13,28/E:(1,2)(11,12)(13,14)/rA:28cCCCCCCCCCCCCSCCCCCCCNCCCCCCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s21;s22;d23;s24;d25;d22s26;s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23NS2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:13.2542
Area:588.366
Solvation:-1.45492
Coulombic:-12.0948
Bond Count [?]
All:32
Single:22
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:401.589
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.94
LogP (Chemaxon):7.63

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Descriptor Annotations

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