N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C250-0077 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 474 |
| Molecular Formula: | C24 H25 Cl F N3 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1C(c2ccc(cc2)F)=NC2(CCCCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3739 |
| logD: | 5.3736 |
| logSw: | -5.9198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.192 |
| InChI Key: | KCJBYDPFXUHKPP-UHFFFAOYSA-N |