2-{[bis(2-hydroxyethyl)amino]methyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-{[bis(2-hydroxyethyl)amino]methyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-{[bis(2-hydroxyethyl)amino]methyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | Y500-1991 |
| Compound Name: | 2-{[bis(2-hydroxyethyl)amino]methyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C22 H29 N3 O3 |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(NC(CN(CCO)CCO)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.99 |
| logD: | 1.9857 |
| logSw: | -2.7843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.201 |
| InChI Key: | VVYUSOLACKPWOJ-UHFFFAOYSA-N |