Chemical ID: 4388742

COc1ccccc1NC(=S)N2CCN(CC2)Cc3ccc4c(c3)OCO4
Chemical ID:
4388742
Name [?]:
4-(benzo[1,3]dioxol-5-ylmethyl)-N-(2-methoxyphenyl)-piperazine-1-carbothioamide
SMILES [?]:
COc1ccccc1NC(=S)N2CCN(CC2)Cc3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.89237
Area:591.433
Solvation:-4.89346
Coulombic:-48.6702
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.481
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.28
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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