Chemical ID: 4802403

CCN(CC)c1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccc(c(c4)OC)OCC
Chemical ID:
4802403
Name [?]:
4-amino-2-(4-diethylaminophenyl)-9-(4-ethoxy-3-methoxy-phenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
CCN(CC)c1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccc(c(c4)OC)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H29N5O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.61469
Area:655.83
Solvation:-6.78106
Coulombic:-57.8713
Bond Count [?]
All:37
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:459.54
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.37
LogP (Chemaxon):4.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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