N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-(4-oxoquinazolin-3-yl)butyl]propanediamide
PubChem CID: 10096567
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| Topological Polar Surface Area | 137.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 801.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-(4-oxoquinazolin-3-yl)butyl]propanediamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C25H27N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQUCEWIUTRCKGP-UHFFFAOYSA-N |
| Fcsp3 | 0.28 |
| Logs | -3.997 |
| Rotatable Bond Count | 12.0 |
| Logd | 0.908 |
| Compound Name | N'-[3-(2-formamidophenyl)-3-oxopropyl]-N-[4-(4-oxoquinazolin-3-yl)butyl]propanediamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 477.201 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 477.201 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 477.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.470015914285715 |
| Inchi | InChI=1S/C25H27N5O5/c31-17-29-20-9-3-1-7-18(20)22(32)11-13-27-24(34)15-23(33)26-12-5-6-14-30-16-28-21-10-4-2-8-19(21)25(30)35/h1-4,7-10,16-17H,5-6,11-15H2,(H,26,33)(H,27,34)(H,29,31) |
| Smiles | C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCNC(=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