7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole

C28H24N4OS — CID 139299595

IUPAC7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCCc1nc2c3ccsc3c3cc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)ccc3c2[nH]1
InChIInChI=1S/C28H24N4OS/c1-4-23-30-25-17-7-5-15(11-20(17)27-19(9-10-34-27)26(25)31-23)16-6-8-18-22(12-16)33-13-21-24(18)32-28(29-21)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyIZWFNFVPKDDXRI-UHFFFAOYSA-N
MW464.59 g/mol
LogP7.57
Rot. Bonds3

About 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole

7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole (PubChem CID 139299595) has the molecular formula C28H24N4OS and a molecular weight of 464.59 g/mol. Its IUPAC name is 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole.

Molecular Properties

Compound Name7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole
PubChem CID139299595
Molecular FormulaC28H24N4OS
Molecular Weight464.59 g/mol
Exact Mass464.17
IUPAC Name7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole
SMILESCCc1nc2c3ccsc3c3cc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)ccc3c2[nH]1
InChIInChI=1S/C28H24N4OS/c1-4-23-30-25-17-7-5-15(11-20(17)27-19(9-10-34-27)26(25)31-23)16-6-8-18-22(12-16)33-13-21-24(18)32-28(29-21)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyIZWFNFVPKDDXRI-UHFFFAOYSA-N
XLogP7.57
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole?
The IUPAC name of 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole (CID 139299595) is 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole.
What is the SMILES notation for 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole?
The canonical SMILES for 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole is CCc1nc2c3ccsc3c3cc(-c4ccc5c(c4)OCc4[nH]c(C(C)C)nc4-5)ccc3c2[nH]1.
What is the InChIKey of 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole?
The InChIKey is IZWFNFVPKDDXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4OS/c1-4-23-30-25-17-7-5-15(11-20(17)27-19(9-10-34-27)26(25)31-23)16-6-8-18-22(12-16)33-13-21-24(18)32-28(29-21)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole?
7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole has a molecular weight of 464.59 g/mol, XLogP of 7.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethyl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaen-14-yl)-2-propan-2-yl-3,4-dihydrochromeno[3,4-d]imidazole is sourced from PubChem (CID 139299595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).