Text Search
Structure Search

3-[(4-methoxyphenyl)methyl]-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

3-[(4-methoxyphenyl)methyl]-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

Formula: C29H32N2O2S

SMILES: COC1=CC=C(CN2C(=O)C3=C(N=C2SCC(C)=C)C2=C(CC33CCCCC3)C=CC=C2)C=C1

IUPAC: 3-[(4-methoxyphenyl)methyl]-2-[(2-methylprop-2-en-1-yl)sulfanyl]-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

InChI: InChI=1S/C29H32N2O2S/c1-20(2)19-34-28-30-26-24-10-6-5-9-22(24)17-29(15-7-4-8-16-29)25(26)27(32)31(28)18-21-11-13-23(33-3)14-12-21/h5-6,9-14H,1,4,7-8,15-19H2,2-3H3

Composition: C (73.70%), H (6.82%), N (5.93%), O (6.77%), S (6.78%)

Molar Mass: 472.65

Atom Count: 66

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 472.218449452
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PIIPGTDLBHILIF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 141.04
Topological Polar Surface Area 41.9
Polarizability 54.19
Ring Count 5
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H32N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote