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(1R,2S,6R,7S,8S,10R)-4-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Formula:C25H21N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (1R,2S,6R,7S,8S,10R)-4-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione is a drug-like molecule.
MolName(1R,2S,6R,7S,8S,10R)-4-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
MolecularFormulaC25H21N2O3Br
SmilesO=C([C@H]1[C@@H]([C@H]2[C@@H]3C2)C=C[C@@H]3[C@H]1C1=O)N1/N=C\c(cccc1)c1OCc(cc1)ccc1Br
InChIInChI=1S/C25H21BrN2O3/c26-16-7-5-14(6-8-16)13-31-21-4-2-1-3-15(21)12-27-28-24(29)22-17-9-10-18(20-11-19(17)20)23(22)25(28)30/h1-10,12,17-20,22-23H,11,13H2/t17-,18+,19-,20-,22-,23+/m0/s1
InChIKAEQRFIBCXXEWNK-CSPZMSETSA-N
TotalMolweight477.357
Molweight477.357
MonoisotopicMass476.073554
CLogP4.0572
CLogS-5.849
H Acceptors5
TotalSurfaceArea307.23
Relative PSA0.16646
PolarSurfaceArea58.97
Druglikeness2.9026
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.54839
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
StereoCenters6
Rotatable Bond5
Rings Closures6
Small Rings9
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms2
StereoConthis enantiomer

Request More Details | (1R,2S,6R,7S,8S,10R)-4-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione


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