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Chemical ID: 3988633
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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