[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C27H21N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C27H21N3O4S
Smiles	NC(c1c(NC(COC(c2c(CC/C3=C/c4ccccc4)c3nc3ccccc23)=O)=O)scc1)=O
InChI	InChI=1S/C27H21N3O4S/c28-25(32)20-12-13-35-26(20)30-22(31)15-34-27(33)23-18-8-4-5-9-21(18)29-24-17(10-11-19(23)24)14-16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H2,28,32)(H,30,31)
InChIK	RZAMQXNSQIOEQQ-UHFFFAOYSA-N
TotalMolweight	483.547
Molweight	483.547
MonoisotopicMass	483.125277
CLogP	4.1079
CLogS	-6.084
H Acceptors	7
H Donors	2
TotalSurfaceArea	357.8
Relative PSA	0.29955
PolarSurfaceArea	139.62
Druglikeness	3.53
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Request More Details | [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments