Chemical ID: 5789020

CC(C)(C)OC(=O)NC(Cc1csc2c1cccc2)C(=O)O
Chemical ID:
5789020
Name [?]:
3-benzothiophen-3-yl-2-tert-butoxycarbonylamino-propanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1csc2c1cccc2)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H19NO4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.92619
Area:516.057
Solvation:-2.97523
Coulombic:-61.9478
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.392
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.23
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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