N-(3,4-dimethylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D325-0565 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.68 |
| Molecular Formula: | C30 H33 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=NC2=C(C(N1CC=C)=O)C1(CCCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5674 |
| logD: | 6.5674 |
| logSw: | -5.476 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.948 |
| InChI Key: | XCSVCEVLFYXNMQ-UHFFFAOYSA-N |