Chemical ID: 3988633

CCC(c1nc(cs1)C(=O)N2CCCCCCC2)N
Chemical ID:
3988633
Name [?]:
[2-(1-aminopropyl)thiazol-4-yl]-azocan-1-yl-methanone
SMILES [?]:
CCC(c1nc(cs1)C(=O)N2CCCCCCC2)N
InChi [?]:
InChI=1/C14H23N3OS/c1-2-11(15)13-16-12(10-19-13)14(18)17-8-6-4-3-5-7-9-17/h10-11H,2-9,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,12,18,7,3,6,4,9,19,5,11,10,8/E:(4,5)(6,7)(8,9)/rA:19cCCCCNCCSCONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s11s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.93485
Area:454.757
Solvation:-1.43408
Coulombic:-37.522
Bond Count [?]
All:20
Single:17
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.418
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):1.84

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