2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

Formula: C18H22N2O3

SMILES: COC1=CC(=CC(OC)=C1OC)C1CCNC2=C(N1)C=CC=C2

IUPAC: 2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

InChI: InChI=1/C18H22N2O3/c1-21-16-10-12(11-17(22-2)18(16)23-3)13-8-9-19-14-6-4-5-7-15(14)20-13/h4-7,10-11,13,19-20H,8-9H2,1-3H3

Composition: C (68.77%), H (7.05%), N (8.91%), O (15.27%)

Molar Mass: 314.385

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	314.163042576
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	DIXYUTKQPLAJAR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.01
Topological Polar Surface Area	51.75
Polarizability	34.55
Ring Count	3
Rotatable Bond Count	4

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
%	<14 Days	C18H22N2O3		$240.98-$1,807.79$240.98$1,807.79