Chemical ID: 4207745

CCOc1ccc(cc1)NC(=O)CSc2nnnn2c3ccc(cc3)C(=O)OC
Chemical ID:
4207745
Name [?]:
methyl 4-[5-[(4-ethoxyphenyl)carbamoylmethylsulfanyl]tetrazol-1-yl]benzoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nnnn2c3ccc(cc3)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N5O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6343
Area:656.708
Solvation:-4.78338
Coulombic:-53.3098
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:413.451
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.08
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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