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(5S)-5-cyclopropyl-5-{3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl}imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-{3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl}imidazolidine-2,4-dione

CAS: 1957278-93-1

Formula: C20H24F2N4O3

SMILES: C[C@H]1CN(CCN1C1=CC(F)=CC(F)=C1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1

IUPAC: (5S)-5-cyclopropyl-5-{3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl}imidazolidine-2,4-dione

InChI: InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1

Composition: C (59.10%), H (5.95%), F (9.35%), N (13.79%), O (11.81%)

Molar Mass: 406.434

Atom Count: 53

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 406.181646975
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CMLVKUWQFZQPPS-YUNKPMOVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.25
Topological Polar Surface Area 81.75
Polarizability 38.21
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1957278-93-1 $572.70-$3,447.70$572.70$917.70$1,828.50$3,447.70
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