tert-butyl 2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6955 |
| Compound Name: | tert-butyl 2-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 544.62 |
| Molecular Formula: | C27 H30 F2 N4 O4 S |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(=N2)SCC(Nc1ccc(c(c1)F)F)=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2451 |
| logD: | 5.2381 |
| logSw: | -5.0963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.664 |
| InChI Key: | NEYOHHLJWUREDW-UHFFFAOYSA-N |