(14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

C32H23ClN2O2S2 — CID 6521604

IUPAC(14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
SMILESO=c1/c(=C/c2ccccc2OCc2ccccc2Cl)sc2n1C(c1cccs1)C1=C(N=2)c2ccccc2CC1
InChIInChI=1S/C32H23ClN2O2S2/c33-25-12-5-2-10-22(25)19-37-26-13-6-3-9-21(26)18-28-31(36)35-30(27-14-7-17-38-27)24-16-15-20-8-1-4-11-23(20)29(24)34-32(35)39-28/h1-14,17-18,30H,15-16,19H2/b28-18-
InChIKeyNIJVCJXFRXFGOK-VEILYXNESA-N
MW567.14 g/mol
LogP6.61
Rot. Bonds5

About (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

(14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one (PubChem CID 6521604) has the molecular formula C32H23ClN2O2S2 and a molecular weight of 567.14 g/mol. Its IUPAC name is (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.

Molecular Properties

Compound Name(14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
PubChem CID6521604
Molecular FormulaC32H23ClN2O2S2
Molecular Weight567.14 g/mol
Exact Mass566.09
IUPAC Name(14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
SMILESO=c1/c(=C/c2ccccc2OCc2ccccc2Cl)sc2n1C(c1cccs1)C1=C(N=2)c2ccccc2CC1
InChIInChI=1S/C32H23ClN2O2S2/c33-25-12-5-2-10-22(25)19-37-26-13-6-3-9-21(26)18-28-31(36)35-30(27-14-7-17-38-27)24-16-15-20-8-1-4-11-23(20)29(24)34-32(35)39-28/h1-14,17-18,30H,15-16,19H2/b28-18-
InChIKeyNIJVCJXFRXFGOK-VEILYXNESA-N
XLogP6.61
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.14
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one with MolForge

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Related Compounds

(14E)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 6006901
(14Z)-11-(4-fluorophenyl)-14-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 6018652
(11R)-14-(pyridin-4-ylmethylidene)-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 1026683
(11S)-11-(2,4-dichlorophenyl)-14-[(2-phenylmethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 129442101
(11S)-14-[(2,4-dimethoxyphenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 129443974
14-[(4-ethoxyphenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 23774657
(14Z)-11-(2-chlorophenyl)-14-[(2-methoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 6311615
(14Z)-14-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-11-(4-fluorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 6522674
(11R,14E)-14-[(4-prop-2-enoxyphenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 124631014
(11R,14Z)-14-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-11-(4-methoxyphenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 124539025
14-[(4-chloro-3-nitrophenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 23916739
14-[(4-methylsulfanylphenyl)methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 23944686

Frequently Asked Questions

What is the IUPAC name of (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
The IUPAC name of (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one (CID 6521604) is (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.
What is the SMILES notation for (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
The canonical SMILES for (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is O=c1/c(=C/c2ccccc2OCc2ccccc2Cl)sc2n1C(c1cccs1)C1=C(N=2)c2ccccc2CC1.
What is the InChIKey of (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
The InChIKey is NIJVCJXFRXFGOK-VEILYXNESA-N. The full InChI is InChI=1S/C32H23ClN2O2S2/c33-25-12-5-2-10-22(25)19-37-26-13-6-3-9-21(26)18-28-31(36)35-30(27-14-7-17-38-27)24-16-15-20-8-1-4-11-23(20)29(24)34-32(35)39-28/h1-14,17-18,30H,15-16,19H2/b28-18-.
What are the key properties of (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one?
(14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one has a molecular weight of 567.14 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z)-14-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is sourced from PubChem (CID 6521604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).