Name: Name:3-{4,6-dimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0,2,7]trideca-1,3,5,8,10,12-hexaen-5-yl}propanoic acid
Brand: Angene
SKU: AG01BA95
Rating: 90 (10 reviews)

3-{4,6-dimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0,2,7]trideca-1,3,5,8,10,12-hexaen-5-yl}propanoic acid

CAS No.:

902613-91-6

Catalog Number:

AG01BA95

Molecular Formula:

C14H14N4O2

Molecular Weight:

270.2866

Catalog Number:

AG01BA95

Chemical Name:

3-{4,6-dimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0,2,7]trideca-1,3,5,8,10,12-hexaen-5-yl}propanoic acid

CAS Number:

902613-91-6

Molecular Formula:

C14H14N4O2

Molecular Weight:

270.2866

MDL Number:

MFCD09809724

IUPAC Name:

3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanoic acid

InChI:

InChI=1S/C14H14N4O2/c1-8-10(5-6-12(19)20)9(2)18-14(16-8)11-4-3-7-15-13(11)17-18/h3-4,7H,5-6H2,1-2H3,(H,19,20)

InChI Key:

BPDVFUUQKLZILZ-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1c(C)nc2n(c1C)nc1c2cccn1

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.292g/mol

Monoisotopic Mass:

270.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5