Chemical ID: 5416928

CCC(C)NCc1[nH]c(=O)c2c(c(sc2n1)C(=O)OC)C
Chemical ID:
5416928
Name [?]:
methyl 9-methyl-2-oxo-4-(sec-butylaminomethyl)-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
CCC(C)NCc1[nH]c(=O)c2c(c(sc2n1)C(=O)OC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H19N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.79507
Area:511.202
Solvation:-2.98498
Coulombic:-54.1763
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.385
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.48
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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