N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0648 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3319 |
| logD: | 4.3311 |
| logSw: | -4.3064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.395 |
| InChI Key: | XFUUWRHLRWYQGG-UHFFFAOYSA-N |