3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Formula:C27H30N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is a drug-like molecule.

MolName	3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
MolecularFormula	C27H30N4O2
Smiles	O=C(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C27H30N4O2/c32-26(30-18-16-29(17-19-30)14-7-10-21-8-3-1-4-9-21)22-12-13-23-24(20-22)28-25-11-5-2-6-15-31(25)27(23)33/h1,3-4,7-10,12-13,20H,2,5-6,11,14-19H2
InChIK	KXXLZXWQIFCPGD-UHFFFAOYSA-N
TotalMolweight	442.561
Molweight	442.561
MonoisotopicMass	442.236876
CLogP	3.8939
CLogS	-3.651
H Acceptors	6
TotalSurfaceArea	345.99
Relative PSA	0.13943
PolarSurfaceArea	56.22
Druglikeness	3.2062
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one | 2 - 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

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