Chemical ID: 6909173

CCOC(=O)c1c(c2c(ncnc2s1)NC(C)C)C
Chemical ID:
6909173
Name [?]:
ethyl 2-isopropylamino-9-methyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2c(ncnc2s1)NC(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H17N3O2S
All Atoms:36
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.8061
Area:471.893
Solvation:-1.99121
Coulombic:-42.4371
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.359
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.94
LogP (Chemaxon):2.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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