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(3-{1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidin-4-yl}-2-oxo-1,3-benzodiazol-1-yl)acetic acid

(3-{1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidin-4-yl}-2-oxo-1,3-benzodiazol-1-yl)acetic acid

CAS: 215190-29-7

Formula: C29H27N3O5

SMILES: OC(=O)CN1C(=O)N(C2CCN(CC2)C(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C2=CC=CC=C12

IUPAC: 2-[3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl]acetic acid

InChI: InChI=1S/C29H27N3O5/c33-27(34)17-31-25-11-5-6-12-26(25)32(28(31)35)19-13-15-30(16-14-19)29(36)37-18-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-12,19,24H,13-18H2,(H,33,34)

Composition: C (70.01%), H (5.47%), N (8.45%), O (16.08%)

Molar Mass: 497.551

Atom Count: 64

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 497.195070981
Formal Charge 0
FSP3 0.28
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MAMFYCHTCHKPAH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 136.67
Topological Polar Surface Area 90.39
Polarizability 53.66
Ring Count 6
Rotatable Bond Count 6

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