N-(3-chloro-4-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G698-0222 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 417.98 |
| Molecular Formula: | C20 H20 Cl N3 O S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1C(c2cccs2)=NC2(CCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1536 |
| logD: | 5.1535 |
| logSw: | -5.5753 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.615 |
| InChI Key: | IBFCVIKYQRZDQS-UHFFFAOYSA-N |