4-nitro-N-[2-({1-[(2,4,6-trimethylphenyl)carbamoyl]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

4-nitro-N-[2-({1-[(2,4,6-trimethylphenyl)carbamoyl]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

Formula: C26H24N4O4S2

SMILES: CC(SC1=NC2=CC=C(NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C=C2S1)C(=O)NC1=C(C)C=C(C)C=C1C

IUPAC: 4-nitro-N-[2-({1-[(2,4,6-trimethylphenyl)carbamoyl]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

InChI: InChI=1/C26H24N4O4S2/c1-14-11-15(2)23(16(3)12-14)29-24(31)17(4)35-26-28-21-10-7-19(13-22(21)36-26)27-25(32)18-5-8-20(9-6-18)30(33)34/h5-13,17H,1-4H3,(H,27,32)(H,29,31)

Composition: C (59.98%), H (4.65%), N (10.76%), O (12.29%), S (12.32%)

Molar Mass: 520.62

Atom Count: 60

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	520.123897617
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OHWMMCGJYGTUPU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	145.34
Topological Polar Surface Area	114.23
Polarizability	54.78
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H24N4O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00