N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-[[2-(1H-indol-3-yl)acetyl]amino]butyl]propanediamide
PubChem CID: 10097676
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| Topological Polar Surface Area | 149.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 791.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-[[2-(1H-indol-3-yl)acetyl]amino]butyl]propanediamide |
| Prediction Hob | 0.0 |
| Xlogp | 1.8 |
| Molecular Formula | C27H31N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GVQNUYWHIQZPHH-UHFFFAOYSA-N |
| Fcsp3 | 0.2962962962962963 |
| Logs | -3.939 |
| Rotatable Bond Count | 14.0 |
| Logd | 1.402 |
| Compound Name | N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-[[2-(1H-indol-3-yl)acetyl]amino]butyl]propanediamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 505.233 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 505.233 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 505.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1523650000000005 |
| Inchi | InChI=1S/C27H31N5O5/c33-18-32-23-10-4-2-8-21(23)24(34)11-14-30-27(37)16-26(36)29-13-6-5-12-28-25(35)15-19-17-31-22-9-3-1-7-20(19)22/h1-4,7-10,17-18,31H,5-6,11-16H2,(H,28,35)(H,29,36)(H,30,37)(H,32,33) |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)NCCCCNC(=O)CC(=O)NCCC(=O)C3=CC=CC=C3NC=O |
| 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