6-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propanamido]-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propanamido]-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula: C27H37N5O4S

SMILES: CN1CCN(CCC(=O)NC2=C(C(=O)NC3=CC=CC(=C3)[N+]([O-])=O)C3=C(CC(CC3)C(C)(C)C)S2)CC1

IUPAC: 6-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propanamido]-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1/C27H37N5O4S/c1-27(2,3)18-8-9-21-22(16-18)37-26(29-23(33)10-11-31-14-12-30(4)13-15-31)24(21)25(34)28-19-6-5-7-20(17-19)32(35)36/h5-7,17-18H,8-16H2,1-4H3,(H,28,34)(H,29,33)

Composition: C (61.46%), H (7.07%), N (13.27%), O (12.13%), S (6.08%)

Molar Mass: 527.68

Atom Count: 74

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	527.256625865
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZKFCVUCBZHMYNA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	148.81
Topological Polar Surface Area	107.82
Polarizability	55.59
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H37N5O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00