(5E)-1-[4-(adamantan-1-yl)phenyl]-5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-[4-(adamantan-1-yl)phenyl]-5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula: C31H33ClN2O5

SMILES: CCOC1=CC(C=C2/C(=O)NC(=O)N(C2=O)C2=CC=C(C=C2)C23CC4CC(CC(C4)C2)C3)=CC(Cl)=C1OCC

IUPAC: (5E)-1-[4-(adamantan-1-yl)phenyl]-5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C31H33ClN2O5/c1-3-38-26-14-18(13-25(32)27(26)39-4-2)12-24-28(35)33-30(37)34(29(24)36)23-7-5-22(6-8-23)31-15-19-9-20(16-31)11-21(10-19)17-31/h5-8,12-14,19-21H,3-4,9-11,15-17H2,1-2H3,(H,33,35,37)/b24-12+

Composition: C (67.81%), H (6.06%), Cl (6.46%), N (5.10%), O (14.57%)

Molar Mass: 549.06

Atom Count: 72

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	548.2077999
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BGMPJEXKPXMZPH-WYMPLXKRSA-N
Lipinski's Rule of Five
Molar Refractivity	148.73
Topological Polar Surface Area	84.94
Polarizability	57.41
Ring Count	6
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H33ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00