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5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C17H15N3O2S

SMILES: CC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1N=C1C=CC(=O)C=C1

IUPAC: 5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C17H15N3O2S/c1-10-18-16-15(13-4-2-3-5-14(13)23-16)17(22)20(10)19-11-6-8-12(21)9-7-11/h6-9H,2-5H2,1H3

Composition: C (62.75%), H (4.65%), N (12.91%), O (9.83%), S (9.85%)

Molar Mass: 325.39

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 325.088497909
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QGXMDWDESIMBIL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.56
Topological Polar Surface Area 62.1
Polarizability 32.65
Ring Count 4
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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