4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-N-pyridin-4-ylbenzamide

Formula:C32H29N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-N-pyridin-4-ylbenzamide is not a drug-like molecule.

MolName	4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-N-pyridin-4-ylbenzamide
MolecularFormula	C32H29N5O3
Smiles	O=C(/C=C/c1ccccc1)Nc(cc(cc1)C(Nc2ccncc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O
InChI	InChI=1S/C32H29N5O3/c38-30(12-9-22-5-2-1-3-6-22)35-27-18-24(32(40)34-26-13-15-33-16-14-26)10-11-29(27)36-19-23-17-25(21-36)28-7-4-8-31(39)37(28)20-23/h1-16,18,23,25H,17,19-21H2,(H,35,38)(H,33,34,40)
InChIK	RJMQCENCLKCZTQ-UHFFFAOYSA-N
TotalMolweight	531.614
Molweight	531.614
MonoisotopicMass	531.22704
CLogP	3.7557
CLogS	-5.386
H Acceptors	8
H Donors	2
TotalSurfaceArea	405.56
Relative PSA	0.19753
PolarSurfaceArea	94.64
Druglikeness	3.6225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.425
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Amides	3
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon	unknown chirality

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1 - 4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-N-pyridin-4-ylbenzamide | 2 - 4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]-N-pyridin-4-ylbenzamide

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