3-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1-(2,4-dichlorophenyl)-3-methylurea

3-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1-(2,4-dichlorophenyl)-3-methylurea

CAS: 324009-22-5

Formula: C18H17BrCl2N2O3

SMILES: CN(C1C(CO)COC2=C1C=C(Br)C=C2)C(=O)NC1=C(Cl)C=C(Cl)C=C1

IUPAC: 3-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1-(2,4-dichlorophenyl)-3-methylurea

InChI: InChI=1/C18H17BrCl2N2O3/c1-23(18(25)22-15-4-3-12(20)7-14(15)21)17-10(8-24)9-26-16-5-2-11(19)6-13(16)17/h2-7,10,17,24H,8-9H2,1H3,(H,22,25)

Composition: C (46.98%), H (3.72%), Br (17.36%), Cl (15.41%), N (6.09%), O (10.43%)

Molar Mass: 460.15

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	457.979961
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CRXUCUSHMRJHLJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.25
Topological Polar Surface Area	61.8
Polarizability	40.56
Ring Count	3
Rotatable Bond Count	3

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