(5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one

C19H15NO2S — CID 7345306

IUPAC(5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one
SMILESCc1cc2c(c(=O)o1)[C@@H](c1ccccc1)Sc1ccccc1N2
InChIInChI=1S/C19H15NO2S/c1-12-11-15-17(19(21)22-12)18(13-7-3-2-4-8-13)23-16-10-6-5-9-14(16)20-15/h2-11,18,20H,1H3/t18-/m1/s1
InChIKeyJKFANDYQSPPRMJ-GOSISDBHSA-N
MW321.40 g/mol
LogP4.89
Rot. Bonds1

About (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one

(5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one (PubChem CID 7345306) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one.

Molecular Properties

Compound Name(5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one
PubChem CID7345306
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name(5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one
SMILESCc1cc2c(c(=O)o1)[C@@H](c1ccccc1)Sc1ccccc1N2
InChIInChI=1S/C19H15NO2S/c1-12-11-15-17(19(21)22-12)18(13-7-3-2-4-8-13)23-16-10-6-5-9-14(16)20-15/h2-11,18,20H,1H3/t18-/m1/s1
InChIKeyJKFANDYQSPPRMJ-GOSISDBHSA-N
XLogP4.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one?
The IUPAC name of (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one (CID 7345306) is (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one.
What is the SMILES notation for (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one?
The canonical SMILES for (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one is Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1)Sc1ccccc1N2.
What is the InChIKey of (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one?
The InChIKey is JKFANDYQSPPRMJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15NO2S/c1-12-11-15-17(19(21)22-12)18(13-7-3-2-4-8-13)23-16-10-6-5-9-14(16)20-15/h2-11,18,20H,1H3/t18-/m1/s1.
What are the key properties of (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one?
(5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one has a molecular weight of 321.40 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-phenyl-5,11-dihydropyrano[3,4-c][1,5]benzothiazepin-4-one is sourced from PubChem (CID 7345306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).