Chemical ID: 4841682

CCn1c(nnc1SCC(=O)Nc2ccccc2C(=O)OC)c3ccc(cc3)N
Chemical ID:
4841682
Name [?]:
methyl 2-[2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2C(=O)OC)c3ccc(cc3)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N5O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3331
Area:640.131
Solvation:-3.67014
Coulombic:-69.5985
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:411.479
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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