4-{[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)benzamide

4-{[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)benzamide

Formula: C21H18N4O2S3

SMILES: CCC(=O)NC1=CC=C2N=C(SCC3=CC=C(C=C3)C(=O)NC3=NC=CS3)SC2=C1

IUPAC: 4-{[(6-propanamido-1,3-benzothiazol-2-yl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)benzamide

InChI: InChI=1S/C21H18N4O2S3/c1-2-18(26)23-15-7-8-16-17(11-15)30-21(24-16)29-12-13-3-5-14(6-4-13)19(27)25-20-22-9-10-28-20/h3-11H,2,12H2,1H3,(H,23,26)(H,22,25,27)

Composition: C (55.49%), H (3.99%), N (12.33%), O (7.04%), S (21.16%)

Molar Mass: 454.58

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	454.059189358
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VDVYXULRWPVDIM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.73
Topological Polar Surface Area	83.98
Polarizability	47.25
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N4O2S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00