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11-benzyl-5-[(1Z)-2-phenylethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-benzyl-5-[(1Z)-2-phenylethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C24H23N3OS

SMILES: O=C1NC(NC2=C1C1=C(CN(CC3=CC=CC=C3)CC1)S2)C=C/C1=CC=CC=C1

IUPAC: 11-benzyl-5-[(1Z)-2-phenylethenyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C24H23N3OS/c28-23-22-19-13-14-27(15-18-9-5-2-6-10-18)16-20(19)29-24(22)26-21(25-23)12-11-17-7-3-1-4-8-17/h1-12,21,26H,13-16H2,(H,25,28)/b12-11-

Composition: C (71.79%), H (5.77%), N (10.47%), O (3.98%), S (7.98%)

Molar Mass: 401.53

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 401.156183547
Formal Charge 0
FSP3 0.21
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AGPRADGRDMXMEJ-QXMHVHEDNA-N
Lipinski's Rule of Five
Molar Refractivity 120.44
Topological Polar Surface Area 44.37
Polarizability 44.78
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H23N3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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