Chemical ID: 4100668

Cc1c(sc2c1CN(CN2C(=O)c3ccco3)C4CCCC4)C
Chemical ID:
4100668
Name [?]:
(4-cyclopentyl-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-7,10-dien-2-yl)-(2-furyl)methanone
SMILES [?]:
Cc1c(sc2c1CN(CN2C(=O)c3ccco3)C4CCCC4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H22N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.85897
Area:503.755
Solvation:-2.73491
Coulombic:-30.9187
Bond Count [?]
All:26
Single:21
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.446
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.11
LogP (Chemaxon):3.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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