N'-[3-(2-aminophenyl)-3-oxopropyl]-N-[4-[[2-(1H-indol-3-yl)acetyl]amino]butyl]propanediamide
PubChem CID: 10096579
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 146.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 731.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[3-(2-aminophenyl)-3-oxopropyl]-N-[4-[[2-(1H-indol-3-yl)acetyl]amino]butyl]propanediamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C26H31N5O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MGLJCVMZOZBUHA-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -3.643 |
| Rotatable Bond Count | 13.0 |
| Logd | 1.378 |
| Compound Name | N'-[3-(2-aminophenyl)-3-oxopropyl]-N-[4-[[2-(1H-indol-3-yl)acetyl]amino]butyl]propanediamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 477.238 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 477.238 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 477.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.156345857142857 |
| Inchi | InChI=1S/C26H31N5O4/c27-21-9-3-1-8-20(21)23(32)11-14-30-26(35)16-25(34)29-13-6-5-12-28-24(33)15-18-17-31-22-10-4-2-7-19(18)22/h1-4,7-10,17,31H,5-6,11-16,27H2,(H,28,33)(H,29,34)(H,30,35) |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)NCCCCNC(=O)CC(=O)NCCC(=O)C3=CC=CC=C3N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Source_db:cmaup_ingredients