N-[4-benzoyl-12,12-dimethyl-8-(morpholin-4-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.0²,?]trideca-1,3,6,8-tetraen-3-yl]furan-2-carboxamide

N-[4-benzoyl-12,12-dimethyl-8-(morpholin-4-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.0²,?]trideca-1,3,6,8-tetraen-3-yl]furan-2-carboxamide

Formula: C28H27N3O5S

SMILES: CC1(C)CC2=C3C(NC(=O)C4=CC=CO4)=C(SC3=NC(N3CCOCC3)=C2CO1)C(=O)C1=CC=CC=C1

IUPAC: N-[4-benzoyl-12,12-dimethyl-8-(morpholin-4-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.0²,?]trideca-1,3,6,8-tetraen-3-yl]furan-2-carboxamide

InChI: InChI=1S/C28H27N3O5S/c1-28(2)15-18-19(16-36-28)25(31-10-13-34-14-11-31)30-27-21(18)22(29-26(33)20-9-6-12-35-20)24(37-27)23(32)17-7-4-3-5-8-17/h3-9,12H,10-11,13-16H2,1-2H3,(H,29,33)

Composition: C (64.97%), H (5.26%), N (8.12%), O (15.45%), S (6.19%)

Molar Mass: 517.6

Atom Count: 64

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	517.167142155
Formal Charge	0
FSP3	0.32
Hetero Ring Count	5
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	BMHTZTMLRQQCRH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.23
Topological Polar Surface Area	93.9
Polarizability	53.67
Ring Count	6
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H27N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00