14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one

C19H24N4O2S — CID 118636239

IUPAC14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one
SMILESO=C1NCC2CCCC(C2)OCCCNc2cc(ccn2)-c2nc1cs2
InChIInChI=1S/C19H24N4O2S/c24-18-16-12-26-19(23-16)14-5-7-21-17(10-14)20-6-2-8-25-15-4-1-3-13(9-15)11-22-18/h5,7,10,12-13,15H,1-4,6,8-9,11H2,(H,20,21)(H,22,24)
InChIKeyPUNSPJGCVPQUGW-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.33
Rot. Bonds

About 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one

14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one (PubChem CID 118636239) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one.

Molecular Properties

Compound Name14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one
PubChem CID118636239
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one
SMILESO=C1NCC2CCCC(C2)OCCCNc2cc(ccn2)-c2nc1cs2
InChIInChI=1S/C19H24N4O2S/c24-18-16-12-26-19(23-16)14-5-7-21-17(10-14)20-6-2-8-25-15-4-1-3-13(9-15)11-22-18/h5,7,10,12-13,15H,1-4,6,8-9,11H2,(H,20,21)(H,22,24)
InChIKeyPUNSPJGCVPQUGW-UHFFFAOYSA-N
XLogP3.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one?
The IUPAC name of 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one (CID 118636239) is 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one.
What is the SMILES notation for 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one?
The canonical SMILES for 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one is O=C1NCC2CCCC(C2)OCCCNc2cc(ccn2)-c2nc1cs2.
What is the InChIKey of 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one?
The InChIKey is PUNSPJGCVPQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-18-16-12-26-19(23-16)14-5-7-21-17(10-14)20-6-2-8-25-15-4-1-3-13(9-15)11-22-18/h5,7,10,12-13,15H,1-4,6,8-9,11H2,(H,20,21)(H,22,24).
What are the key properties of 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one?
14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one has a molecular weight of 372.49 g/mol, XLogP of 3.33, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-3-thia-7,18,20,25-tetrazatetracyclo[17.3.1.12,5.19,13]pentacosa-1(23),2(25),4,19,21-pentaen-6-one is sourced from PubChem (CID 118636239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).