N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula:C31H25N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C31H25N5S |
| Smiles | C(CC1)Cc2c1sc1ncnc(N/N=C/c(c3c4cccc3)c(-c3ccccc3)n4-c3ccccc3)c12 |
| InChI | InChI=1S/C31H25N5S/c1-3-11-21(12-4-1)29-25(23-15-7-9-17-26(23)36(29)22-13-5-2-6-14-22)19-34-35-30-28-24-16-8-10-18-27(24)37-31(28)33-20-32-30/h1-7,9,11-15,17,19-20H,8,10,16,18H2,(H,32,33,35) |
| InChIK | IMUXZKAKKXEGDZ-UHFFFAOYSA-N |
| TotalMolweight | 499.64 |
| Molweight | 499.64 |
| MonoisotopicMass | 499.183065 |
| CLogP | 9.1555 |
| CLogS | -11.43 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 382.16 |
| Relative PSA | 0.18877 |
| PolarSurfaceArea | 83.34 |
| Druglikeness | -0.3315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.43243 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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