10,12-diphenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Formula:C30H25N3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
10,12-diphenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine is not a drug-like molecule.
| MolName | 10,12-diphenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine |
| MolecularFormula | C30H25N3S3 |
| Smiles | Nc1nc(SC/C=C/c2ccccc2)nc2c1c(CC(c1ccccc1)SC1c3ccccc3)c1s2 |
| InChI | InChI=1S/C30H25N3S3/c31-28-25-23-19-24(21-14-6-2-7-15-21)35-26(22-16-8-3-9-17-22)27(23)36-29(25)33-30(32-28)34-18-10-13-20-11-4-1-5-12-20/h1-17,24,26H,18-19H2,(H2,31,32,33) |
| InChIK | NXXRHPQNSDQNNG-UHFFFAOYSA-N |
| TotalMolweight | 523.748 |
| Molweight | 523.748 |
| MonoisotopicMass | 523.121057 |
| CLogP | 8.2188 |
| CLogS | -10.608 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 389.62 |
| Relative PSA | 0.23754 |
| PolarSurfaceArea | 130.64 |
| Druglikeness | 1.8671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 10,12-diphenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine | 2 - 10,12-diphenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
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