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(5Z)-1-(4-ethoxyphenyl)-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

(5Z)-1-(4-ethoxyphenyl)-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C23H23N3O3S

SMILES: CCOC1=CC=C(C=C1)N1C(=S)NC(=O)C(=CC2=CC=C(C=C2)N2CCCC2)C1=O

IUPAC: (5Z)-1-(4-ethoxyphenyl)-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C23H23N3O3S/c1-2-29-19-11-9-18(10-12-19)26-22(28)20(21(27)24-23(26)30)15-16-5-7-17(8-6-16)25-13-3-4-14-25/h5-12,15H,2-4,13-14H2,1H3,(H,24,27,30)/b20-15-

Composition: C (65.54%), H (5.50%), N (9.97%), O (11.39%), S (7.61%)

Molar Mass: 421.52

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 421.146012787
Formal Charge 0
FSP3 0.26
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MPYBJIRAOVTSPB-HKWRFOASSA-N
Lipinski's Rule of Five 1
Molar Refractivity 121.97
Topological Polar Surface Area 61.88
Polarizability 46.14
Ring Count 4
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H23N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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