1-{2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

1-{2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

Formula: C26H33FN4O5S

SMILES: CC1=C(SC=N1)C1=CC(O)=C(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)C=C1

IUPAC: 1-{2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

InChI: InChI=1/C26H33FN4O5S/c1-14-20(37-13-29-14)15-5-6-16(19(33)9-15)11-28-22(34)18-10-17(32)12-31(18)23(35)21(25(2,3)4)30-24(36)26(27)7-8-26/h5-6,9,13,17-18,21,32-33H,7-8,10-12H2,1-4H3,(H,28,34)(H,30,36)

Composition: C (58.63%), H (6.25%), F (3.57%), N (10.52%), O (15.02%), S (6.02%)

Molar Mass: 532.63

Atom Count: 70

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	532.215569516
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	OKBLHQUBMCCFKE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	134.93
Topological Polar Surface Area	131.86
Polarizability	53.45
Ring Count	4
Rotatable Bond Count	8

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C26H33FN4O5S		Quote Only