[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
Formula:C24H22N5O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is a drug-like molecule.
| MolName | [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone |
| MolecularFormula | C24H22N5O3ClS |
| Smiles | COc1cc(C(N(CC2)CCN2c(ncnc23)c2snc3-c(cc2)ccc2Cl)=O)cc(OC)c1 |
| InChI | InChI=1S/C24H22ClN5O3S/c1-32-18-11-16(12-19(13-18)33-2)24(31)30-9-7-29(8-10-30)23-22-21(26-14-27-23)20(28-34-22)15-3-5-17(25)6-4-15/h3-6,11-14H,7-10H2,1-2H3 |
| InChIK | FNCXLEDLSIZTNJ-UHFFFAOYSA-N |
| TotalMolweight | 495.99 |
| Molweight | 495.99 |
| MonoisotopicMass | 495.113187 |
| CLogP | 4.3957 |
| CLogS | -4.218 |
| H Acceptors | 8 |
| TotalSurfaceArea | 359.43 |
| Relative PSA | 0.25988 |
| PolarSurfaceArea | 108.92 |
| Druglikeness | 7.0888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone | 2 - [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
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