methyl 3-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0466 |
| Compound Name: | methyl 3-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCCC3CCCCC=3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3504 |
| logD: | 4.3491 |
| logSw: | -4.3052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.939 |
| InChI Key: | GCKUSPVLBJMJGP-UHFFFAOYSA-N |