Chemical ID: 4994725

Cc1ccsc1C(C)N2CCCNCC2
Chemical ID:
4994725
Name [?]:
1-[1-(3-methyl-2-thienyl)ethyl]-1,4-diazepane
SMILES [?]:
Cc1ccsc1C(C)N2CCCNCC2
InChi [?]:
InChI=1/C12H20N2S/c1-10-4-9-15-12(10)11(2)14-7-3-5-13-6-8-14/h4,9,11,13H,3,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,11,3,12,14,10,15,4,2,7,6,13,9,5/rA:15cCCCCSCCCNCCCNCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s7;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:8.27063
Area:392.348
Solvation:-1.53807
Coulombic:-14.7172
Bond Count [?]
All:16
Single:14
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:224.367
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.27
LogP (Chemaxon):1.72

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Descriptor Annotations

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