(6Z)-6-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Formula:C18H13N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-6-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C18H13N4OClS |
| Smiles | N=C(/C1=C/c2cccn2Cc(cc2)ccc2Cl)N(C=CS2)C2=NC1=O |
| InChI | InChI=1S/C18H13ClN4OS/c19-13-5-3-12(4-6-13)11-22-7-1-2-14(22)10-15-16(20)23-8-9-25-18(23)21-17(15)24/h1-10,20H,11H2 |
| InChIK | XPXNVHGMNNWMTM-UHFFFAOYSA-N |
| TotalMolweight | 368.847 |
| Molweight | 368.847 |
| MonoisotopicMass | 368.049858 |
| CLogP | 1.7131 |
| CLogS | -2.62 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.43 |
| Relative PSA | 0.25738 |
| PolarSurfaceArea | 86.75 |
| Druglikeness | 4.4697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (6Z)-6-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
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