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834884-95-6 | 1-BOC-4-(CARBOXY-THIOPHEN-2-YL-METHYL)-[1,4]DIAZEPANE
CAS No: 834884-95-6 Catalog No: AG004VR8 MDL No:MFCD04115162
Product Description
Catalog Number:
AG004VR8
Chemical Name:
1-BOC-4-(CARBOXY-THIOPHEN-2-YL-METHYL)-[1,4]DIAZEPANE
CAS Number:
834884-95-6
Molecular Formula:
C16H24N2O4S
Molecular Weight:
340.4378
MDL Number:
MFCD04115162
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylacetic acid
InChI:
InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(21)18-8-5-7-17(9-10-18)13(14(19)20)12-6-4-11-23-12/h4,6,11,13H,5,7-10H2,1-3H3,(H,19,20)
InChI Key:
UOTHVHCXBJCCAF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCN(CC1)C(c1cccs1)C(=O)O)OC(C)(C)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.438g/mol
Monoisotopic Mass:
340.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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