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N-phenyl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)cyclopropanecarboxamide hydrochloride

N-phenyl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)cyclopropanecarboxamide hydrochloride

CAS: 1185302-29-7

Formula: C20H23ClN2O2

SMILES: Cl.O=C(C1CC1)N(CC1=CC2=C(OCCNC2)C=C1)C1=CC=CC=C1

IUPAC: N-phenyl-N-[(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)methyl]cyclopropanecarboxamide hydrochloride

InChI: InChI=1S/C20H22N2O2.ClH/c23-20(16-7-8-16)22(18-4-2-1-3-5-18)14-15-6-9-19-17(12-15)13-21-10-11-24-19;/h1-6,9,12,16,21H,7-8,10-11,13-14H2;1H

Composition: C (66.94%), H (6.46%), Cl (9.88%), N (7.81%), O (8.92%)

Molar Mass: 358.87

Atom Count: 48

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 358.1448057
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WCTVHQNOAACRLF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.79
Topological Polar Surface Area 41.57
Polarizability 36.59
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1185302-29-7 $202.14$202.14
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