1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone
Formula:C25H25N5O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone is not a drug-like molecule.
| MolName | 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone |
| MolecularFormula | C25H25N5O4S2 |
| Smiles | Cc(cccc1)c1-n1c(SCc2nc(C(N(CC3)CCC33OCCO3)=O)cs2)nnc1-c1ccco1 |
| InChI | InChI=1S/C25H25N5O4S2/c1-17-5-2-3-6-19(17)30-22(20-7-4-12-32-20)27-28-24(30)36-16-21-26-18(15-35-21)23(31)29-10-8-25(9-11-29)33-13-14-34-25/h2-7,12,15H,8-11,13-14,16H2,1H3 |
| InChIK | JENWISPREYPUCZ-UHFFFAOYSA-N |
| TotalMolweight | 523.637 |
| Molweight | 523.637 |
| MonoisotopicMass | 523.134795 |
| CLogP | 3.1838 |
| CLogS | -7.231 |
| H Acceptors | 9 |
| TotalSurfaceArea | 381.18 |
| Relative PSA | 0.33667 |
| PolarSurfaceArea | 149.05 |
| Druglikeness | 0.53707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone | 2 - 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone
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