N-benzyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0448 |
| Compound Name: | N-benzyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C24 H25 N3 O2 S |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(NCc2ccccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.431 |
| logD: | 4.4278 |
| logSw: | -4.3325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.902 |
| InChI Key: | ZJDKXHRPTWNLQR-UHFFFAOYSA-N |