2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Chemical Structure Depiction of
2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-dipropylacetamide
2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Compound characteristics
| Compound ID: | 8016-0589 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-dipropylacetamide |
| Molecular Weight: | 545.74 |
| Molecular Formula: | C32 H39 N3 O3 S |
| Smiles: | CCCN(CCC)C(CSC1=NC2=C(C(N1c1cccc(c1)OC)=O)C1(CCCCC1)Cc1ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4196 |
| logD: | 6.1297 |
| logSw: | -5.6685 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.665 |
| InChI Key: | ILWGJNVENFUELF-UHFFFAOYSA-N |