N-(4-bromophenyl)-2-{3-[(pyridin-2-ylmethyl)amino]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

N-(4-bromophenyl)-2-{3-[(pyridin-2-ylmethyl)amino]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

Formula: C23H23BrN4O2S

SMILES: BrC1=CC=C(NC(=O)C2=C(NC(=O)CCNCC3=CC=CC=N3)SC3=C2CCC3)C=C1

IUPAC: N-(4-bromophenyl)-2-(3-{[(pyridin-2-yl)methyl]amino}propanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

InChI: InChI=1S/C23H23BrN4O2S/c24-15-7-9-16(10-8-15)27-22(30)21-18-5-3-6-19(18)31-23(21)28-20(29)11-13-25-14-17-4-1-2-12-26-17/h1-2,4,7-10,12,25H,3,5-6,11,13-14H2,(H,27,30)(H,28,29)

Composition: C (55.31%), H (4.64%), Br (16.00%), N (11.22%), O (6.41%), S (6.42%)

Molar Mass: 499.43

Atom Count: 54

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	498.07251
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HJTAMRODPYFHPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.93
Topological Polar Surface Area	83.12
Polarizability	47.8
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H23BrN4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00