ethyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Formula:C20H23N3O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate is a drug-like molecule.

MolName	ethyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
MolecularFormula	C20H23N3O3Cl2S
Smiles	CCOC(c1csc(CN(C2CCCCC2)C(Nc(cc2)cc(Cl)c2Cl)=O)n1)=O
InChI	InChI=1S/C20H23Cl2N3O3S/c1-2-28-19(26)17-12-29-18(24-17)11-25(14-6-4-3-5-7-14)20(27)23-13-8-9-15(21)16(22)10-13/h8-10,12,14H,2-7,11H2,1H3,(H,23,27)
InChIK	ZJODLVKMUNBQCS-UHFFFAOYSA-N
TotalMolweight	456.393
Molweight	456.393
MonoisotopicMass	455.083716
CLogP	4.748
CLogS	-5.639
H Acceptors	6
H Donors	1
TotalSurfaceArea	333.4
Relative PSA	0.24721
PolarSurfaceArea	99.77
Druglikeness	-2.8518
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - ethyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate | 2 - ethyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate

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