Chemical ID: 5530015

Cc1ccc(cc1Cl)c2ccc(o2)C=CC(=O)Nc3ccc(cc3C)c4nn5c(nnc5s4)C
Chemical ID:
5530015
Name [?]:
3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-[2-methyl-4-(2-methyl-6-thia-1,3,4,8-tetrazabicyclo[3.3.0]octa-2,4,7-trien-7-yl)-phenyl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1Cl)c2ccc(o2)C=CC(=O)Nc3ccc(cc3C)c4nn5c(nnc5s4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H20ClN5O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.9243
Area:723.195
Solvation:-4.15561
Coulombic:-39.5994
Bond Count [?]
All:38
Single:25
Double:13
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:489.978
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.28
LogP (Chemaxon):4.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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