[2-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylamino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
Formula:C32H23N2O2Cl2PS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylamino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone is not a drug-like molecule.
| MolName | [2-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylamino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone |
| MolecularFormula | C32H23N2O2Cl2PS |
| Smiles | O=C(c1c(-c2ccccc2)nc(NP(/C=C(/c2ccccc2)\Cl)(/C=C(/c2ccccc2)\Cl)=O)s1)c1ccccc1 |
| InChI | InChI=1S/C32H23Cl2N2O2PS/c33-27(23-13-5-1-6-14-23)21-39(38,22-28(34)24-15-7-2-8-16-24)36-32-35-29(25-17-9-3-10-18-25)31(40-32)30(37)26-19-11-4-12-20-26/h1-22H,(H,35,36,38) |
| InChIK | LMZYOONLVGULQY-UHFFFAOYSA-N |
| TotalMolweight | 601.493 |
| Molweight | 601.493 |
| MonoisotopicMass | 600.059489 |
| CLogP | 8.0833 |
| CLogS | -7.066 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 440.24 |
| Relative PSA | 0.16548 |
| PolarSurfaceArea | 97.11 |
| Druglikeness | -11.124 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylamino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone | 2 - [2-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylamino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
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