2-({[4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-({[4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-({[4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 5671-0109 |
| Compound Name: | 2-({[4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C29 H28 N4 O2 S |
| Smiles: | C=CCN1C(=Nc2ccccc2C1=O)SCC1NC(C2=C(c3ccccc3CC23CCCCC3)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7989 |
| logD: | 4.7903 |
| logSw: | -4.6369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.733 |
| InChI Key: | MQQZFYSKTHCWSO-UHFFFAOYSA-N |