3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015772 |
| Compound Name: | 3-benzyl-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C30 H35 N3 O3 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1)=O)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4157 |
| logD: | 5.4157 |
| logSw: | -5.251 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.736 |
| InChI Key: | ISTHITLCPHHAFF-UHFFFAOYSA-N |