3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0055 |
| Compound Name: | 3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C28 H25 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(C(=C\C1=C(N=C2C=CC=CN2C1=O)Oc1ccc(cc1)C(C)(C)C)\C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5623 |
| logD: | 5.5623 |
| logSw: | -5.4654 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.299 |
| InChI Key: | HXCDWXICKWXVFM-UHFFFAOYSA-N |