N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Molecular Formula : C19H14N5O3FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.
MolName : N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
MolecularFormula : C19H14N5O3FS |
Smiles : O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)Nc(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C19H14FN5O3S/c20-10-1-3-13-12(7-10)17-18(22-13)23-19(25-24-17)29-9-16(26)21-11-2-4-14-15(8-11)28-6-5-27-14/h1-4,7-8H,5-6,9H2,(H,21,26)(H,22,23,25) |
InChIK : SJDGILGAXASGRZ-UHFFFAOYSA-N |
TotalMolweight : 411.416 |
Molweight : 411.416 |
MonoisotopicMass : 411.080138 |
CLogP : 2.7112 |
CLogS : -5.246 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 288.9 |
Relative PSA : 0.37691 |
PolarSurfaceArea : 127.32 |
Druglikeness : -7.0787 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.62069 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 19 |
Sp3Atoms : 6 |
Amides : 1 |
Aromatic Nitrogens : 4 |
StereoCon : |
1 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
2 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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