10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one
Chemical Structure Depiction of
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one
Compound characteristics
| Compound ID: | 5763-0113 |
| Compound Name: | 10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one |
| Molecular Weight: | 334.46 |
| Molecular Formula: | C22 H26 N2 O |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N2CCCCCC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2555 |
| logD: | 4.2332 |
| logSw: | -4.3104 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.4979 |
| InChI Key: | DTKMVWZKEUHMRJ-UHFFFAOYSA-N |