tert-butyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6812 |
| Compound Name: | tert-butyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 512.69 |
| Molecular Formula: | C26 H32 N4 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CSC1C(c2cccs2)=NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2993 |
| logD: | 5.2993 |
| logSw: | -5.2701 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.138 |
| InChI Key: | LRLPWNDIXUUPEL-UHFFFAOYSA-N |