Chemical ID: 3897851

CCC(=O)N1CCN(CC1)c2c3c(c(sc3nc(n2)C)C)C
Chemical ID:
3897851
Name [?]:
1-[4-(4,8,9-trimethyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)piperazin-1-yl]propan-1-one
SMILES [?]:
CCC(=O)N1CCN(CC1)c2c3c(c(sc3nc(n2)C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H22N4OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.3057
Area:508.421
Solvation:-2.40479
Coulombic:-33.0462
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.438
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.52
LogP (Chemaxon):3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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