(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-benzyl-2-(2-ethoxyphenyl)acetamide

Formula:C31H29N5O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-benzyl-2-(2-ethoxyphenyl)acetamide is not a drug-like molecule.

MolName	(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-benzyl-2-(2-ethoxyphenyl)acetamide
MolecularFormula	C31H29N5O3
Smiles	CCOc1c([C@H](C(NCc2ccccc2)=O)N(C(Cn2nnc3c2cccc3)=O)c2ccccc2)cccc1
InChI	InChI=1S/C31H29N5O3/c1-2-39-28-20-12-9-17-25(28)30(31(38)32-21-23-13-5-3-6-14-23)36(24-15-7-4-8-16-24)29(37)22-35-27-19-11-10-18-26(27)33-34-35/h3-20,30H,2,21-22H2,1H3,(H,32,38)/t30-/m1/s1
InChIK	XNAZQQKYRULODA-SSEXGKCCSA-N
TotalMolweight	519.603
Molweight	519.603
MonoisotopicMass	519.22704
CLogP	3.835
CLogS	-5.225
H Acceptors	8
H Donors	1
TotalSurfaceArea	407.16
Relative PSA	0.19624
PolarSurfaceArea	89.35
Druglikeness	-0.37833
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41026
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	3
StereoCon	this enantiomer

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