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(1s,3r,5R,7S)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide

(1s,3r,5R,7S)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide

CAS: 915385-81-8

Formula: C23H25ClN2O

SMILES: [H][C@]12C[C@]3([H])C[C@](C1)(C[C@](C2)(C3)C1=CC=C(Cl)C=C1)C(=O)NCC1=CC=NC=C1

IUPAC: (1s,3r,5R,7S)-3-(4-chlorophenyl)-N-[(pyridin-4-yl)methyl]adamantane-1-carboxamide

InChI: InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)/t17-,18+,22+,23-

Composition: C (72.52%), H (6.62%), Cl (9.31%), N (7.35%), O (4.20%)

Molar Mass: 380.92

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 380.1655411
Formal Charge 0
FSP3 0.48
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CAOTVXGYTWCKQE-BRNYJPRKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.94
Topological Polar Surface Area 41.99
Polarizability 42
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 915385-81-8 $38.22-$558.01$38.22$60.39$96.31$228.56$351.62$558.01
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