capsazepine

capsazepine

CAS: 138977-28-3

Formula: C19H21ClN2O2S

SMILES: OC1=C(O)C=C2CN(CCCC2=C1)C(=S)NCCC1=CC=C(Cl)C=C1

IUPAC: N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine-2-carbothioamide

InChI: InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)

Composition: C (60.55%), H (5.62%), Cl (9.41%), N (7.43%), O (8.49%), S (8.51%)

Molar Mass: 376.9

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	capsazepine
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	376.1012268
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	DRCMAZOSEIMCHM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.48
Topological Polar Surface Area	55.73
Polarizability	40.88
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99.17%	<7 Days	138977-28-3		$57.04-$426.36$57.04$88.83$266.48$426.36