Menu

6-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Formula:C25H19N5O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 6-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
MolName6-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC25H19N5O5
Smiles[O-][N+](c1cc(-c2ccc(/C=N\N(CC(N(C3)C4Cc5c3[nH]c3c5cccc3)=O)C4=O)o2)ccc1)=O
InChIInChI=1S/C25H19N5O5/c31-24-14-29(26-12-17-8-9-23(35-17)15-4-3-5-16(10-15)30(33)34)25(32)22-11-19-18-6-1-2-7-20(18)27-21(19)13-28(22)24/h1-10,12,22,27H,11,13-14H2/t22-/m0/s1
InChIKWVFNIYRPVXJFKC-QFIPXVFZSA-N
TotalMolweight469.456
Molweight469.456
MonoisotopicMass469.13862
CLogP1.8318
CLogS-5.516
H Acceptors10
H Donors1
TotalSurfaceArea337.95
Relative PSA0.3054
PolarSurfaceArea127.73
Druglikeness4.4344
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms5
Amides1
Aromatic Nitrogens1
AcidicOxygens1
StereoConracemate

Request More Details | 6-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments