(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(3-hydroxypropyl)prop-2-enamide

(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(3-hydroxypropyl)prop-2-enamide

Formula: C20H19BrN2O5

SMILES: OCCCNC(=O)C(NC(=O)C1=CC=C(Br)C=C1)=CC1=CC=C2OCOC2=C1

IUPAC: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)formamido]-N-(3-hydroxypropyl)prop-2-enamide

InChI: InChI=1S/C20H19BrN2O5/c21-15-5-3-14(4-6-15)19(25)23-16(20(26)22-8-1-9-24)10-13-2-7-17-18(11-13)28-12-27-17/h2-7,10-11,24H,1,8-9,12H2,(H,22,26)(H,23,25)/b16-10-

Composition: C (53.71%), H (4.28%), Br (17.86%), N (6.26%), O (17.88%)

Molar Mass: 447.285

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	446.047735
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	VDFWCHYCMRGYFV-YBEGLDIGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.07
Topological Polar Surface Area	96.89
Polarizability	40.72
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19BrN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00