[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate

CAS: 131403-76-4

Molecular Formula	`C21H17NO3S`
Molecular Weight	363.4 g/mol
LogP	4.1
Topological Polar Surface Area	65.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	363.09293
Heavy Atoms	26
Complexity	555.0

Chemical Identifiers

CAS Number	131403-76-4
SMILES	`CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC`
InChIKey	`NCWRHYSPTPPIQP-UHFFFAOYSA-N`

📖 Product Overview

[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate (CAS: 131403-76-4) is a chemical compound with molecular formula C21H17NO3S and molecular weight 363.4 g/mol. Its IUPAC systematic name is [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate. LogP 4.1 Topological Polar Surface Area 65.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 363.09293 Heavy Atoms 26 Complexity 555.0 InChI Key: NCWRHYSPTPPIQP-UHFFFAOYSA-N. SMILES: CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC.

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📚 Academic Support

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