2-({4-cyclohexyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide

2-({4-cyclohexyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide

Formula: C19H25N3O3S2

SMILES: CC1(C)CC2=C(CO1)SC1=C2C(=O)N(C2CCCCC2)C(SCC(N)=O)=N1

IUPAC: 2-({4-cyclohexyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide

InChI: InChI=1S/C19H25N3O3S2/c1-19(2)8-12-13(9-25-19)27-16-15(12)17(24)22(11-6-4-3-5-7-11)18(21-16)26-10-14(20)23/h11H,3-10H2,1-2H3,(H2,20,23)

Composition: C (56.00%), H (6.18%), N (10.31%), O (11.78%), S (15.73%)

Molar Mass: 407.55

Atom Count: 52

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	407.133734025
Formal Charge	0
FSP3	0.63
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MOZDHUORBZFYKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.26
Topological Polar Surface Area	84.99
Polarizability	41.12
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H25N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00