Name: Name:Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
Brand: Angene
SKU: AG00GU19
Rating: 90 (10 reviews)

Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

CAS No.:

942145-77-9

Catalog Number:

AG00GU19

Molecular Formula:

C18H22N2O2

Molecular Weight:

298.3795

Catalog Number:

AG00GU19

Chemical Name:

Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

CAS Number:

942145-77-9

Molecular Formula:

C18H22N2O2

Molecular Weight:

298.3795

MDL Number:

MFCD11616203

IUPAC Name:

propan-2-yl 1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate

InChI:

InChI=1S/C18H22N2O2/c1-11(2)22-17(21)13-9-19-10-18(3,4)15-12-7-5-6-8-14(12)20-16(13)15/h5-9,11,19-20H,10H2,1-4H3

InChI Key:

LWOPKUFMTHTYQL-UHFFFAOYSA-N

SMILES:

CC(OC(=O)C1=CNCC(c2c1[nH]c1c2cccc1)(C)C)C

Complexity:

470

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.386g/mol

Monoisotopic Mass:

298.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8