propan-2-yl 2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Formula:C18H23NO3Cl2S Mutagenic:high Tumorigenic:low Reproductive Effective:high propan-2-yl 2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is not a drug-like molecule.

MolName	propan-2-yl 2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MolecularFormula	C18H23NO3Cl2S
Smiles	CC(C)OC(c1c(NC([C@@](C)(C2)C2(Cl)Cl)=O)sc2c1CCCCC2)=O
InChI	InChI=1S/C18H23Cl2NO3S/c1-10(2)24-15(22)13-11-7-5-4-6-8-12(11)25-14(13)21-16(23)17(3)9-18(17,19)20/h10H,4-9H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIK	WFSNPZUPRLRALF-QGZVFWFLSA-N
TotalMolweight	404.357
Molweight	404.357
MonoisotopicMass	403.077568
CLogP	5.0956
CLogS	-5.872
H Acceptors	4
H Donors	1
TotalSurfaceArea	282.66
Relative PSA	0.24022
PolarSurfaceArea	83.64
Druglikeness	-2.5612
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	13
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - propan-2-yl 2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate | 2 - propan-2-yl 2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Request More Details | propan-2-yl 2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments