Chemical ID: 6428078

CCc1ccc2c(c1)Sc3ccccc3CC2N4CCN(CC4)C
Chemical ID:
6428078
Name [?]:
None
SMILES [?]:
CCc1ccc2c(c1)Sc3ccccc3CC2N4CCN(CC4)C
InChi [?]:
InChI=1/C21H26N2S/c1-3-16-8-9-18-19(23-12-10-22(2)11-13-23)15-17-6-4-5-7-20(17)24-21(18)14-16/h4-9,14,19H,3,10-13,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,13,12,14,11,4,5,20,22,19,23,8,16,3,15,6,17,10,7,21,18,9/E:(10,11)(12,13)/rA:24cCCCCCCCCSCCCCCCCCNCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s12;d13;d10s14;s15;s6s16;s17;s18;s19;s20;s21;s18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.627
Area:529.02
Solvation:-1.59855
Coulombic:-13.6054
Bond Count [?]
All:27
Single:21
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.511
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.46
LogP (Chemaxon):5.16

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Descriptor Annotations

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