Chemical ID: 5191976

Cc1c(sc2c1c(=O)[nH]c(n2)CN3CCN(CC3)C(=O)COC)C
Chemical ID:
5191976
Name [?]:
3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1c(sc2c1c(=O)[nH]c(n2)CN3CCN(CC3)C(=O)COC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H22N4O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.8887
Area:549.518
Solvation:-5.84925
Coulombic:-53.4414
Bond Count [?]
All:26
Single:21
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.437
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-1.28
LogP (Chemaxon):0.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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