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13-chloro-8-(morpholin-4-yl)-11-thia-9,14,15,16-tetraazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-1(10),2(7),8,12(17),13,15-hexaene

13-chloro-8-(morpholin-4-yl)-11-thia-9,14,15,16-tetraazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-1(10),2(7),8,12(17),13,15-hexaene

Formula: C16H16ClN5OS

SMILES: ClC1=NN=NC2=C1SC1=C2C2=C(CCCC2)C(=N1)N1CCOCC1

IUPAC: 13-chloro-8-(morpholin-4-yl)-11-thia-9,14,15,16-tetraazatetracyclo[8.7.0.0²,?.0¹²,¹?]heptadeca-1(10),2(7),8,12(17),13,15-hexaene

InChI: InChI=1S/C16H16ClN5OS/c17-14-13-12(19-21-20-14)11-9-3-1-2-4-10(9)15(18-16(11)24-13)22-5-7-23-8-6-22/h1-8H2

Composition: C (53.11%), H (4.46%), Cl (9.80%), N (19.35%), O (4.42%), S (8.86%)

Molar Mass: 361.85

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 361.076409
Formal Charge 0
FSP3 0.5
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey QXOYQVIGPVCFTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.79
Topological Polar Surface Area 64.03
Polarizability 36.77
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16ClN5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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