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1421010-21-0 | Carbamic acid, N-[(1S)-2-[cyclopropyl[(4-fluorophenyl)methyl]amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS No: 1421010-21-0 Catalog No: AG001HSQ MDL No:
Product Description
Catalog Number:
AG001HSQ
Chemical Name:
Carbamic acid, N-[(1S)-2-[cyclopropyl[(4-fluorophenyl)methyl]amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS Number:
1421010-21-0
Molecular Formula:
C18H25FN2O3
Molecular Weight:
336.4011
IUPAC Name:
tert-butyl N-[(2S)-1-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C18H25FN2O3/c1-12(20-17(23)24-18(2,3)4)16(22)21(15-9-10-15)11-13-5-7-14(19)8-6-13/h5-8,12,15H,9-11H2,1-4H3,(H,20,23)/t12-/m0/s1
InChI Key:
LHGKJVDROVEYTM-LBPRGKRZSA-N
SMILES:
C[C@@H](C(=O)N(C1CC1)Cc1ccc(cc1)F)NC(=O)OC(C)(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.407g/mol
Monoisotopic Mass:
336.185g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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