Compound C28H31NO3S

7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydrothiochromen-4-ol

CAS: 744953-91-1

Molecular Formula	`C28H31NO3S`
Molecular Weight	461.6 g/mol
LogP	5.1
Topological Polar Surface Area	67.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	461.20245
Heavy Atoms	33
Complexity	600.0

Chemical Identifiers

CAS Number	744953-91-1
SMILES	`COC1=CC2=C(C=C1)C(C(CS2)C3=CC=CC=C3)(C4=CC=C(C=C4)OCCN5CCCC5)O`
InChIKey	`WYFLTFQHHHFXHZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H31NO3S (CAS: 744953-91-1) is a chemical compound with molecular formula C28H31NO3S and molecular weight 461.6 g/mol. Its IUPAC systematic name is 7-methoxy-3-phenyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydrothiochromen-4-ol. LogP 5.1 Topological Polar Surface Area 67.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 461.20245 Heavy Atoms 33 Complexity 600.0 InChI Key: WYFLTFQHHHFXHZ-UHFFFAOYSA-N. SMILES: COC1=CC2=C(C=C1)C(C(CS2)C3=CC=CC=C3)(C4=CC=C(C=C4)OCCN5CCCC5)O.

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