2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide

2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide

Formula: C16H13Cl3N4O4S

SMILES: OC1=CC(NC(=S)NC(NC(=O)C2=CC=CC=C2[N+]([O-])=O)C(Cl)(Cl)Cl)=CC=C1

IUPAC: 2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide

InChI: InChI=1/C16H13Cl3N4O4S/c17-16(18,19)14(22-15(28)20-9-4-3-5-10(24)8-9)21-13(25)11-6-1-2-7-12(11)23(26)27/h1-8,14,24H,(H,21,25)(H2,20,22,28)

Composition: C (41.44%), H (2.83%), Cl (22.93%), N (12.08%), O (13.80%), S (6.91%)

Molar Mass: 463.71

Atom Count: 41

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	461.9723092
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	TVGKDAYIRRZBFF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.54
Topological Polar Surface Area	116.53
Polarizability	42.17
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13Cl3N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00