3-(4-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(4-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 2752-0175 |
| Compound Name: | 3-(4-methoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | COc1ccc(cc1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC=C |
| Stereo: | ACHIRAL |
| logP: | 6.0357 |
| logD: | 6.0177 |
| logSw: | -5.3726 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.753 |
| InChI Key: | IYXIFBXMMFGACQ-UHFFFAOYSA-N |