5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-2H-1,2,4-triazole-3-carboxamide

5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-2H-1,2,4-triazole-3-carboxamide

CAS: 1622848-92-3

Formula: C20H19N5O3

SMILES: CN1C2=CC=CC=C2OC[C@H](NC(=O)C2=NC(CC3=CC=CC=C3)=NN2)C1=O

IUPAC: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide

InChI: InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1

Composition: C (63.65%), H (5.07%), N (18.56%), O (12.72%)

Molar Mass: 377.404

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	377.148789492
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LYPAFUINURXJSG-AWEZNQCLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.44
Topological Polar Surface Area	100.21
Polarizability	38.59
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.98%	<7 Days	1622848-92-3		$82.28-$1,285.63$82.28$185.13$287.98$863.94$1,285.63