1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol

C23H21N5O2S — CID 42944272

IUPAC1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESCOc1ccccc1-n1nnnc1SCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H21N5O2S/c1-30-22-13-7-6-12-21(22)28-23(24-25-26-28)31-15-16(29)14-27-19-10-4-2-8-17(19)18-9-3-5-11-20(18)27/h2-13,16,29H,14-15H2,1H3
InChIKeyVQLLXAGQWSSTIP-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.93
Rot. Bonds7

About 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol

1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol (PubChem CID 42944272) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
PubChem CID42944272
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESCOc1ccccc1-n1nnnc1SCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H21N5O2S/c1-30-22-13-7-6-12-21(22)28-23(24-25-26-28)31-15-16(29)14-27-19-10-4-2-8-17(19)18-9-3-5-11-20(18)27/h2-13,16,29H,14-15H2,1H3
InChIKeyVQLLXAGQWSSTIP-UHFFFAOYSA-N
XLogP3.93
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 16536113
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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol (CID 42944272) is 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol is COc1ccccc1-n1nnnc1SCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The InChIKey is VQLLXAGQWSSTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-30-22-13-7-6-12-21(22)28-23(24-25-26-28)31-15-16(29)14-27-19-10-4-2-8-17(19)18-9-3-5-11-20(18)27/h2-13,16,29H,14-15H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol has a molecular weight of 431.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 42944272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).