(2R)-N-[(3-chlorophenyl)methyl]-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Formula:C19H21N2O6ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-N-[(3-chlorophenyl)methyl]-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is a drug-like molecule.

MolName	(2R)-N-[(3-chlorophenyl)methyl]-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
MolecularFormula	C19H21N2O6ClS2
Smiles	CCS(c(cc1)cc(N(C2)S(C)(=O)=O)c1O[C@H]2C(NCc1cccc(Cl)c1)=O)(=O)=O
InChI	InChI=1S/C19H21ClN2O6S2/c1-3-30(26,27)15-7-8-17-16(10-15)22(29(2,24)25)12-18(28-17)19(23)21-11-13-5-4-6-14(20)9-13/h4-10,18H,3,11-12H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIK	ALEYPOHUUFEQHN-GOSISDBHSA-N
TotalMolweight	472.969
Molweight	472.969
MonoisotopicMass	472.052955
CLogP	1.304
CLogS	-5.53
H Acceptors	8
H Donors	1
TotalSurfaceArea	319.91
Relative PSA	0.29761
PolarSurfaceArea	126.61
Druglikeness	6.9896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - (2R)-N-[(3-chlorophenyl)methyl]-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide | 2 - (2R)-N-[(3-chlorophenyl)methyl]-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Request More Details | (2R)-N-[(3-chlorophenyl)methyl]-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments