tert-butyl 2-{[(3-methylphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-{[(3-methylphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-{[(3-methylphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6721 |
| Compound Name: | tert-butyl 2-{[(3-methylphenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 455.64 |
| Molecular Formula: | C24 H29 N3 O2 S2 |
| Smiles: | Cc1cccc(CSC2C(c3cccs3)=NC3(CCN(CC3)C(=O)OC(C)(C)C)N=2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8549 |
| logD: | 5.8549 |
| logSw: | -5.4226 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.989 |
| InChI Key: | LSHUJTDYUXTIJX-UHFFFAOYSA-N |