8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G490-0204 |
| Compound Name: | 8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 411.84 |
| Molecular Formula: | C21 H18 Cl N3 O4 |
| Smiles: | C1CN(CCC12NC(C(c1cccc(c1)[Cl])=N2)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.557 |
| logD: | 2.5171 |
| logSw: | -3.5521 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.353 |
| InChI Key: | OANZFOZMEOQHIB-UHFFFAOYSA-N |