Name: Name:tert-butyl N-{2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]ethyl}carbamate
Brand: Angene
SKU: AG01B95L
Rating: 90 (10 reviews)

tert-butyl N-{2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]ethyl}carbamate

CAS No.:

1803604-42-3

Catalog Number:

AG01B95L

Molecular Formula:

C15H19ClN4O2

Molecular Weight:

322.7900

Catalog Number:

AG01B95L

Chemical Name:

tert-butyl N-{2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]ethyl}carbamate

CAS Number:

1803604-42-3

Molecular Formula:

C15H19ClN4O2

Molecular Weight:

322.7900

MDL Number:

MFCD28383780

IUPAC Name:

tert-butyl N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]carbamate

InChI:

InChI=1S/C15H19ClN4O2/c1-15(2,3)22-14(21)17-9-8-12-18-13(20-19-12)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,19,20)

InChI Key:

NZRDNRPNRUFYKJ-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NCCc1nnc([nH]1)c1ccc(cc1)Cl

Complexity:

367

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.793g/mol

Monoisotopic Mass:

322.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3