5-(4-bromophenyl)sulfonyl-6-imino-7-[(4-methoxyphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Formula:C25H19N4O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-bromophenyl)sulfonyl-6-imino-7-[(4-methoxyphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one is not a drug-like molecule.
| MolName | 5-(4-bromophenyl)sulfonyl-6-imino-7-[(4-methoxyphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one |
| MolecularFormula | C25H19N4O4BrS |
| Smiles | COc1ccc(CN(C(C(S(c(cc2)ccc2Br)(=O)=O)=C2)=N)C(N=C3N4C=CC=C3)=C2C4=O)cc1 |
| InChI | InChI=1S/C25H19BrN4O4S/c1-34-18-9-5-16(6-10-18)15-30-23(27)21(35(32,33)19-11-7-17(26)8-12-19)14-20-24(30)28-22-4-2-3-13-29(22)25(20)31/h2-14,27H,15H2,1H3 |
| InChIK | ZDCRMTBROIZRKA-UHFFFAOYSA-N |
| TotalMolweight | 551.42 |
| Molweight | 551.42 |
| MonoisotopicMass | 550.031037 |
| CLogP | 1.7247 |
| CLogS | -5.23 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 358.01 |
| Relative PSA | 0.23974 |
| PolarSurfaceArea | 111.51 |
| Druglikeness | 4.0112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-(4-bromophenyl)sulfonyl-6-imino-7-[(4-methoxyphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one | 2 - 5-(4-bromophenyl)sulfonyl-6-imino-7-[(4-methoxyphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off