Chemical ID: 3873991

CC1CCCN(C1)C(=O)CSc2nnc(n2CCOC)Cc3ccccc3
Chemical ID:
3873991
Name [?]:
2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-piperidyl)-ethanone
SMILES [?]:
CC1CCCN(C1)C(=O)CSc2nnc(n2CCOC)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H28N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.7319
Area:639.231
Solvation:-4.24883
Coulombic:-37.0192
Bond Count [?]
All:29
Single:23
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:388.528
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.89
LogP (Chemaxon):2.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue