Chemical ID: 6428100

Cc1cccc2c1Sc3ccccc3CC2N4CCNCC4
Chemical ID:
6428100
Name [?]:
None
SMILES [?]:
Cc1cccc2c1Sc3ccccc3CC2N4CCNCC4
InChi [?]:
InChI=1/C19H22N2S/c1-14-5-4-7-16-17(21-11-9-20-10-12-21)13-15-6-2-3-8-18(15)22-19(14)16/h2-8,17,20H,9-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,4,3,13,5,10,19,21,18,22,15,2,14,6,16,9,7,20,17,8/E:(9,10)(11,12)/rA:22cCCCCCCCSCCCCCCCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6s15;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.4053
Area:476.468
Solvation:-1.5064
Coulombic:-17.0312
Bond Count [?]
All:25
Single:19
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:310.457
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):4.4

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