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1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate hydrochloride

1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate hydrochloride

CAS: 1247119-33-0

Formula: C23H28ClN3O2S

SMILES: Cl.N[C@H](CC[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1

IUPAC: (1,3-thiazol-5-yl)methyl N-[(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate hydrochloride

InChI: InChI=1S/C23H27N3O2S.ClH/c24-20(13-18-7-3-1-4-8-18)11-12-21(14-19-9-5-2-6-10-19)26-23(27)28-16-22-15-25-17-29-22;/h1-10,15,17,20-21H,11-14,16,24H2,(H,26,27);1H/t20-,21-;/m1./s1

Composition: C (61.94%), H (6.33%), Cl (7.95%), N (9.42%), O (7.17%), S (7.19%)

Molar Mass: 446.01

Atom Count: 58

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 445.159076
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UPZSMWCRMXVNOX-MUCZFFFMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.13
Topological Polar Surface Area 77.24
Polarizability 45.37
Ring Count 3
Rotatable Bond Count 11

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Purity (%)
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Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 1247119-33-0 Quote Only
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1247119-33-0 $138.72-$1,108.74$138.72$307.02$571.20$1,108.74
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