Chemical ID: 4811042

Cc1c(sc2c1c(ncn2)NCC(=O)OC)C
Chemical ID:
4811042
Name [?]:
methyl 2-[(7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)amino]acetate
SMILES [?]:
Cc1c(sc2c1c(ncn2)NCC(=O)OC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H13N3O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.37327
Area:425.406
Solvation:-2.26189
Coulombic:-41.4593
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.66
LogP (Chemaxon):1.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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