Name: Name:N-(3,5-bis(trifluoromethyl)benzyl)-7,9-dimethyl-N-(2-methyl-2H-tetrazol-5-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-amine
Brand: Angene
SKU: AG01D8Y3
Rating: 90 (10 reviews)

N-(3,5-bis(trifluoromethyl)benzyl)-7,9-dimethyl-N-(2-methyl-2H-tetrazol-5-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-amine

CAS No.:

1539285-92-1

Catalog Number:

AG01D8Y3

Molecular Formula:

C23H24F6N6

Molecular Weight:

498.4673

Catalog Number:

AG01D8Y3

Chemical Name:

N-(3,5-bis(trifluoromethyl)benzyl)-7,9-dimethyl-N-(2-methyl-2H-tetrazol-5-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-amine

CAS Number:

1539285-92-1

Molecular Formula:

C23H24F6N6

Molecular Weight:

498.4673

MDL Number:

MFCD26960540

IUPAC Name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7,9-dimethyl-N-(2-methyltetrazol-5-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

InChI:

InChI=1S/C23H24F6N6/c1-13-7-14(2)20-18(8-13)19(5-4-6-30-20)35(21-31-33-34(3)32-21)12-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h7-11,19,30H,4-6,12H2,1-3H3

InChI Key:

VVWJIRQQIVAXKX-UHFFFAOYSA-N

SMILES:

Cc1cc(C)c2c(c1)C(CCCN2)N(c1nnn(n1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Complexity:

683

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

498.197g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

498.477g/mol

Monoisotopic Mass:

498.197g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.6