4-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid

4-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid

Formula: C19H27NO5S

SMILES: COC(=O)C1=C(NC(=O)CCCC(O)=O)SC2=C1CCC(C2)C(C)(C)C

IUPAC: 4-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid

InChI: InChI=1/C19H27NO5S/c1-19(2,3)11-8-9-12-13(10-11)26-17(16(12)18(24)25-4)20-14(21)6-5-7-15(22)23/h11H,5-10H2,1-4H3,(H,20,21)(H,22,23)

Composition: C (59.82%), H (7.13%), N (3.67%), O (20.97%), S (8.40%)

Molar Mass: 381.49

Atom Count: 53

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	381.160994147
Formal Charge	0
FSP3	0.63
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DHAOJRGMBAQRMU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.3
Topological Polar Surface Area	92.7
Polarizability	38.27
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H27NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00