trivial
PTI-1
systemic
'N','N'-diethyl-'N'-((2-(1-pentyl-1'H'-indol-3-yl)thiazol-4-yl)methyl)ethanamine
PTI-1
systemic
'N','N'-diethyl-'N'-((2-(1-pentyl-1'H'-indol-3-yl)thiazol-4-yl)methyl)ethanamine
Identifiers
InChIKey: PCNLLVFKBKMRDB-UHFFFAOYSA-N
Formula: C21H29N3S
CAS Registry numbers:
1400742-46-2
Descriptors
Bioavailability-related
Molecular weight: 355.21 DaPartition coefficient: 5.80
H bond donors: 0
H bond acceptors: 3
Rotatable bonds: 9
Molar refractivity: 109.20 J mol-1 K-1
Polar surface area: 21.06 Å2
Generic
Stereocenters: 0Heteroatoms: 4
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 3Heterocycles: 2
Aromatic rings: 3
Aromatic carbocycles: 1
Aromatic heterocycles: 2
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0