1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene

C23H27NOS — CID 162295960

IUPAC1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene
SMILESCc1cccc2c1N1C(C)c3c(sc4occc34)C1(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H27NOS/c1-13-9-8-10-16-18(13)24-14(2)17-15-11-12-25-20(15)26-19(17)23(24,7)22(5,6)21(16,3)4/h8-12,14H,1-7H3
InChIKeyUOVXIHIPAHWUKD-UHFFFAOYSA-N
MW365.54 g/mol
LogP6.92
Rot. Bonds

About 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene

1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene (PubChem CID 162295960) has the molecular formula C23H27NOS and a molecular weight of 365.54 g/mol. Its IUPAC name is 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene.

Molecular Properties

Compound Name1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene
PubChem CID162295960
Molecular FormulaC23H27NOS
Molecular Weight365.54 g/mol
Exact Mass365.18
IUPAC Name1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene
SMILESCc1cccc2c1N1C(C)c3c(sc4occc34)C1(C)C(C)(C)C2(C)C
InChIInChI=1S/C23H27NOS/c1-13-9-8-10-16-18(13)24-14(2)17-15-11-12-25-20(15)26-19(17)23(24,7)22(5,6)21(16,3)4/h8-12,14H,1-7H3
InChIKeyUOVXIHIPAHWUKD-UHFFFAOYSA-N
XLogP6.92
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene?
The IUPAC name of 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene (CID 162295960) is 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene.
What is the SMILES notation for 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene?
The canonical SMILES for 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene is Cc1cccc2c1N1C(C)c3c(sc4occc34)C1(C)C(C)(C)C2(C)C.
What is the InChIKey of 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene?
The InChIKey is UOVXIHIPAHWUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NOS/c1-13-9-8-10-16-18(13)24-14(2)17-15-11-12-25-20(15)26-19(17)23(24,7)22(5,6)21(16,3)4/h8-12,14H,1-7H3.
What are the key properties of 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene?
1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene has a molecular weight of 365.54 g/mol, XLogP of 6.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,13,18,18,19,19-heptamethyl-5-oxa-3-thia-11-azapentacyclo[9.8.0.02,9.04,8.012,17]nonadeca-2(9),4(8),6,12,14,16-hexaene is sourced from PubChem (CID 162295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).