Chemical ID: 7716533

CC(C)(C)C1CCc2c(sc3n2cc(n3)c4ccc(cc4)Cl)C1
Chemical ID:
7716533
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3n2cc(n3)c4ccc(cc4)Cl)C1
InChi [?]:
InChI=1/C19H21ClN2S/c1-19(2,3)13-6-9-16-17(10-13)23-18-21-15(11-22(16)18)12-4-7-14(20)8-5-12/h4-5,7-8,11,13H,6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,21,6,18,20,7,23,13,16,5,19,14,8,9,11,2,22,15,12,10/E:(1,2,3)(4,5)(7,8)/rA:23cCCCCCCCCCSCNCCNCCCCCCClC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8s11;s12;d13;d11s14;s14;s16;d17;s18;d19;d16s20;s19;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21ClN2S
All Atoms:44
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:12.1699
Area:540.22
Solvation:-1.33558
Coulombic:-15.1453
Bond Count [?]
All:26
Single:20
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:6.32
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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