Chemical ID: 4461481

CCn1c(nnc1SCC(=O)Nc2ccccc2C(C)C)C(C)NC(=O)c3cccc(c3)C
Chemical ID:
4461481
Name [?]:
N-[1-[4-ethyl-5-[(2-isopropylphenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2C(C)C)C(C)NC(=O)c3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H31N5O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:15.1411
Area:749.681
Solvation:-3.60093
Coulombic:-56.4657
Bond Count [?]
All:35
Single:25
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:465.612
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.28
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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