N-[(4-methoxyphenyl)methyl]-3-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}propanamide

N-[(4-methoxyphenyl)methyl]-3-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}propanamide

Formula: C24H27N3O3S2

SMILES: COC1=CC=C(CNC(=O)CCSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2CC=C)C=C1

IUPAC: N-[(4-methoxyphenyl)methyl]-3-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}propanamide

InChI: InChI=1S/C24H27N3O3S2/c1-3-13-27-23(29)21-18-6-4-5-7-19(18)32-22(21)26-24(27)31-14-12-20(28)25-15-16-8-10-17(30-2)11-9-16/h3,8-11H,1,4-7,12-15H2,2H3,(H,25,28)

Composition: C (61.38%), H (5.80%), N (8.95%), O (10.22%), S (13.65%)

Molar Mass: 469.62

Atom Count: 59

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	469.149384089
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WHIHIAIVGAHBCF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	131.68
Topological Polar Surface Area	71
Polarizability	49.21
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H27N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00