Chemical ID: 4805480

Cc1c(c(n2c(n1)c(c(n2)C)c3ccccc3)SCC(=O)C)Cc4ccccc4
Chemical ID:
4805480
Name [?]:
1-[(3-benzyl-4,8-dimethyl-7-phenyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl)sulfanyl]propan-2-one
SMILES [?]:
Cc1c(c(n2c(n1)c(c(n2)C)c3ccccc3)SCC(=O)C)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H23N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.4948
Area:621.672
Solvation:-4.04698
Coulombic:-19.4318
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.525
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.26
LogP (Chemaxon):5.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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