Chemical ID: 6428047

CC(C)N1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl
Chemical ID:
6428047
Name [?]:
None
SMILES [?]:
CC(C)N1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl
InChi [?]:
InChI=1/C21H25ClN2S/c1-15(2)23-9-11-24(12-10-23)19-13-16-5-3-4-6-20(16)25-21-8-7-17(22)14-18(19)21/h3-8,14-15,19H,9-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,13,16,23,24,5,9,6,8,11,21,2,12,22,20,10,17,19,25,4,7,18/E:(1,2)(9,10)(11,12)/rA:25cCCCNCCNCCCCCCCCCCSCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s10s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25ClN2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.4826
Area:559.103
Solvation:-1.49498
Coulombic:-13.8817
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:372.955
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.07
LogP (Chemaxon):5.57

Name Annotations

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Descriptor Annotations

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