Chemical ID: 6873279

CC1CCc2c(sc3c2c4nnc(n4cn3)c5ccccc5)C1
Chemical ID:
6873279
Name [?]:
None
SMILES [?]:
CC1CCc2c(sc3c2c4nnc(n4cn3)c5ccccc5)C1
InChi [?]:
InChI=1/C18H16N4S/c1-11-7-8-13-14(9-11)23-18-15(13)17-21-20-16(22(17)10-19-18)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,3,4,23,15,2,17,5,6,9,13,10,8,16,12,11,14,7/E:(3,4)(5,6)/rA:23cCCCCCCSCCCNNCNCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s11;d12;s10s13;s14;s8d15;s13;s17;d18;s19;d20;d17s21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N4S
All Atoms:39
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.9699
Area:495.927
Solvation:-1.42826
Coulombic:-19.1061
Bond Count [?]
All:27
Single:19
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:320.413
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.76
LogP (Chemaxon):3.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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