2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0463 |
| Compound Name: | 2-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C31 H30 N2 O5 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCC4(CC3)OCCO4)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6358 |
| logD: | 4.6358 |
| logSw: | -4.5044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.118 |
| InChI Key: | YRAOQNLLVCRZRI-UHFFFAOYSA-N |