Chemical ID: 4467380

Cc1cc(cc(c1NC(=O)CSc2nnc(n2C)C(C)Oc3ccccc3)C)I
Chemical ID:
4467380
Name [?]:
N-(4-iodo-2,6-dimethyl-phenyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1cc(cc(c1NC(=O)CSc2nnc(n2C)C(C)Oc3ccccc3)C)I
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23IN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.8274
Area:685.303
Solvation:-4.30519
Coulombic:-40.9758
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:522.404
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.26
LogP (Chemaxon):3.95

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