tert-butyl (6E)-7-{3-[1-(4-fluorophenyl)propan-2-yl]-1H-indol-2-yl}-3,5-dihydroxyhept-6-enoate

tert-butyl (6E)-7-{3-[1-(4-fluorophenyl)propan-2-yl]-1H-indol-2-yl}-3,5-dihydroxyhept-6-enoate

CAS: 129332-29-2

Formula: C28H34FNO4

SMILES: CC(CC1=CC=C(F)C=C1)C1=C(NC2=CC=CC=C12)C=CC(O)CC(O)CC(=O)OC(C)(C)C

IUPAC: tert-butyl (6E)-7-{3-[1-(4-fluorophenyl)propan-2-yl]-1H-indol-2-yl}-3,5-dihydroxyhept-6-enoate

InChI: InChI=1/C28H34FNO4/c1-18(15-19-9-11-20(29)12-10-19)27-23-7-5-6-8-24(23)30-25(27)14-13-21(31)16-22(32)17-26(33)34-28(2,3)4/h5-14,18,21-22,30-32H,15-17H2,1-4H3/b14-13+

Composition: C (71.93%), H (7.33%), F (4.06%), N (3.00%), O (13.69%)

Molar Mass: 467.581

Atom Count: 68

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	3
Exact Mass	467.247186742
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	ZDTIWAMDJLRGLH-BUHFOSPRNA-N
Lipinski's Rule of Five
Molar Refractivity	133.12
Topological Polar Surface Area	82.55
Polarizability	52.16
Ring Count	3
Rotatable Bond Count	11

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