3'-carbamoyl-[1,1'-biphenyl]-3-yl(cyclohexyl)carbamic acid

3'-carbamoyl-[1,1'-biphenyl]-3-yl(cyclohexyl)carbamic acid

CAS: 546141-08-6

Formula: C20H22N2O3

SMILES: NC(=O)C1=CC=CC(=C1)C1=CC(=CC=C1)N(C1CCCCC1)C(O)=O

IUPAC: {3'-carbamoyl-[1,1'-biphenyl]-3-yl}(cyclohexyl)carbamic acid

InChI: InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)22(20(24)25)17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,24,25)

Composition: C (70.99%), H (6.55%), N (8.28%), O (14.18%)

Molar Mass: 338.407

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	338.163042576
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DVLIKHFJTHXJGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.12
Topological Polar Surface Area	83.63
Polarizability	37.89
Ring Count	3
Rotatable Bond Count	4

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