N-(3-chloro-4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C250-0615 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1C(c2ccccc2)=NC2(CCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2421 |
| logD: | 4.2419 |
| logSw: | -4.5565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.227 |
| InChI Key: | XQYHDKZATVFSEC-UHFFFAOYSA-N |