2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-3163 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccccc3C(N2Cc2ccc3c(c2)OCO3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8632 |
| logD: | 3.8632 |
| logSw: | -4.0531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.392 |
| InChI Key: | KROROPXPKMTFLZ-UHFFFAOYSA-N |