5-(3-bromophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(3-bromophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C17H17BrN2OS

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC(Br)=C1

IUPAC: 5-(3-bromophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C17H17BrN2OS/c1-9-5-6-12-13(7-9)22-17-14(12)16(21)19-15(20-17)10-3-2-4-11(18)8-10/h2-4,8-9,15,20H,5-7H2,1H3,(H,19,21)

Composition: C (54.12%), H (4.54%), Br (21.18%), N (7.42%), O (4.24%), S (8.50%)

Molar Mass: 377.3

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	376.024497
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NTZDQZFBUYQCAY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	93.47
Topological Polar Surface Area	41.13
Polarizability	34.78
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17BrN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00