N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K221-3500 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=O)C(NCc2ccc3c(c2)OCO3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9779 |
| logD: | 3.9755 |
| logSw: | -4.1995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.18 |
| InChI Key: | RUGOZBZVOAWLGJ-UHFFFAOYSA-N |