2-(adamantan-1-yl)-4-chloro-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C719-0128 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3(2H)-one |
| Molecular Weight: | 405.92 |
| Molecular Formula: | C21 H28 Cl N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)N1CCC2(CC1)OCCO2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4435 |
| logD: | 3.4434 |
| logSw: | -3.6663 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.116 |
| InChI Key: | LRTDDWFSVUQAAP-UHFFFAOYSA-N |