2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1354 |
| Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 507.7 |
| Molecular Formula: | C29 H37 N3 O3 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(CCC(C)C)C(=Nc2c1)SCC(c1ccc(C)cc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2332 |
| logD: | 6.2332 |
| logSw: | -5.359 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.794 |
| InChI Key: | NFXXYVXIQAGBNN-UHFFFAOYSA-N |