N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-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]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0728 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(NCc2ccc3c(c2)OCO3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3441 |
| logD: | 4.3409 |
| logSw: | -4.2346 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.017 |
| InChI Key: | KHFJCHLDHWNQEB-UHFFFAOYSA-N |