3-(2-nitrophenyl)-1-(6-{[(2-nitrophenyl)carbamoyl]amino}hexyl)urea

3-(2-nitrophenyl)-1-(6-{[(2-nitrophenyl)carbamoyl]amino}hexyl)urea

Formula: C20H24N6O6

SMILES: [O-][N+](=O)C1=CC=CC=C1NC(=O)NCCCCCCNC(=O)NC1=CC=CC=C1[N+]([O-])=O

IUPAC: 3-(2-nitrophenyl)-1-(6-{[(2-nitrophenyl)carbamoyl]amino}hexyl)urea

InChI: InChI=1S/C20H24N6O6/c27-19(23-15-9-3-5-11-17(15)25(29)30)21-13-7-1-2-8-14-22-20(28)24-16-10-4-6-12-18(16)26(31)32/h3-6,9-12H,1-2,7-8,13-14H2,(H2,21,23,27)(H2,22,24,28)

Composition: C (54.05%), H (5.44%), N (18.91%), O (21.60%)

Molar Mass: 444.448

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	444.175732517
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	DQRONIZEEPXUOY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.37
Topological Polar Surface Area	168.54
Polarizability	43.18
Ring Count	2
Rotatable Bond Count	11

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Purity	LeadTime	Formula		UnitPrice
98%	<14 Days	C20H24N6O6		Quote Only