14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene

C20H16N2OS2 — CID 10808785

IUPAC14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene
SMILESc1ccc2c(c1)CC1c3nonc3C3Cc4ccccc4SC3C1S2
InChIInChI=1S/C20H16N2OS2/c1-3-7-15-11(5-1)9-13-17-18(22-23-21-17)14-10-12-6-2-4-8-16(12)25-20(14)19(13)24-15/h1-8,13-14,19-20H,9-10H2
InChIKeyNJINKMKCVLJVCL-UHFFFAOYSA-N
MW364.50 g/mol
LogP4.68
Rot. Bonds

About 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene

14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene (PubChem CID 10808785) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene.

Molecular Properties

Compound Name14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene
PubChem CID10808785
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene
SMILESc1ccc2c(c1)CC1c3nonc3C3Cc4ccccc4SC3C1S2
InChIInChI=1S/C20H16N2OS2/c1-3-7-15-11(5-1)9-13-17-18(22-23-21-17)14-10-12-6-2-4-8-16(12)25-20(14)19(13)24-15/h1-8,13-14,19-20H,9-10H2
InChIKeyNJINKMKCVLJVCL-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene?
The IUPAC name of 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene (CID 10808785) is 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene.
What is the SMILES notation for 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene?
The canonical SMILES for 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene is c1ccc2c(c1)CC1c3nonc3C3Cc4ccccc4SC3C1S2.
What is the InChIKey of 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene?
The InChIKey is NJINKMKCVLJVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-3-7-15-11(5-1)9-13-17-18(22-23-21-17)14-10-12-6-2-4-8-16(12)25-20(14)19(13)24-15/h1-8,13-14,19-20H,9-10H2.
What are the key properties of 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene?
14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene has a molecular weight of 364.50 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-3,25-dithia-13,15-diazahexacyclo[15.8.0.02,11.04,9.012,16.019,24]pentacosa-4,6,8,12,15,19,21,23-octaene is sourced from PubChem (CID 10808785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).