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13-(cyclohexylmethyl)-14-(ethylsulfanyl)-17-thia-13,15-diazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(10),2(7),3,5,11(16),14-hexaen-12-one

13-(cyclohexylmethyl)-14-(ethylsulfanyl)-17-thia-13,15-diazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(10),2(7),3,5,11(16),14-hexaen-12-one

Formula: C23H26N2OS2

SMILES: CCSC1=NC2=C(C3=C(S2)C2=C(CC3)C=CC=C2)C(=O)N1CC1CCCCC1

IUPAC: 13-(cyclohexylmethyl)-14-(ethylsulfanyl)-17-thia-13,15-diazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(10),2(7),3,5,11(16),14-hexaen-12-one

InChI: InChI=1S/C23H26N2OS2/c1-2-27-23-24-21-19(22(26)25(23)14-15-8-4-3-5-9-15)18-13-12-16-10-6-7-11-17(16)20(18)28-21/h6-7,10-11,15H,2-5,8-9,12-14H2,1H3

Composition: C (67.28%), H (6.38%), N (6.82%), O (3.90%), S (15.62%)

Molar Mass: 410.59

Atom Count: 54

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 410.148655813
Formal Charge 0
FSP3 0.48
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VGDLYYNGFHYXJT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 120.21
Topological Polar Surface Area 32.67
Polarizability 46.34
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H26N2OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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