Name: Name:5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG01EKNV
Rating: 90 (10 reviews)

5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

CAS No.:

2137804-79-4

Catalog Number:

AG01EKNV

Molecular Formula:

C22H17NO4S

Molecular Weight:

391.4397

Catalog Number:

AG01EKNV

Chemical Name:

5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

CAS Number:

2137804-79-4

Molecular Formula:

C22H17NO4S

Molecular Weight:

391.4397

MDL Number:

MFCD31421830

IUPAC Name:

5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid

InChI:

InChI=1S/C22H17NO4S/c24-21(25)19-9-13-10-23(11-20(13)28-19)22(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,18H,10-12H2,(H,24,25)

InChI Key:

PTYQCQZUWWRRCH-UHFFFAOYSA-N

SMILES:

O=C(N1Cc2c(C1)cc(s2)C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

606

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

391.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

391.441g/mol

Monoisotopic Mass:

391.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9