N-(2,4-dimethylphenyl)-2-({3-[(furan-2-yl)methyl]-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-({3-[(furan-2-yl)methyl]-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}sulfanyl)acetamide
N-(2,4-dimethylphenyl)-2-({3-[(furan-2-yl)methyl]-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | IB06-7338 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-({3-[(furan-2-yl)methyl]-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C31 H31 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=NC2=C(C(N1Cc1ccco1)=O)C1(CCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.99 |
| logD: | 5.99 |
| logSw: | -6.91 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.27 |
| InChI Key: | WFIFRTGAENGTDR-UHFFFAOYSA-N |