N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G698-0394 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(thiophen-2-yl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | C1CCC2(C1)N=C(C(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 2.736 |
| logD: | 2.7359 |
| logSw: | -3.2177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.438 |
| InChI Key: | KLXVPCDHNKEZDY-UHFFFAOYSA-N |