methyl 4-methyl-2-{2-[(4-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}pentanoate

methyl 4-methyl-2-{2-[(4-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}pentanoate

Formula: C17H23N3O3S

SMILES: COC(=O)C(CC(C)C)NC(=O)CSC1=NC2=C(C)C=CC=C2N1

IUPAC: methyl 4-methyl-2-{2-[(4-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}pentanoate

InChI: InChI=1/C17H23N3O3S/c1-10(2)8-13(16(22)23-4)18-14(21)9-24-17-19-12-7-5-6-11(3)15(12)20-17/h5-7,10,13H,8-9H2,1-4H3,(H,18,21)(H,19,20)

Composition: C (58.43%), H (6.63%), N (12.02%), O (13.74%), S (9.17%)

Molar Mass: 349.45

Atom Count: 47

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	349.146012787
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SAGQNBCCWLDCRT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.21
Topological Polar Surface Area	84.08
Polarizability	38.02
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H23N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00