tert-butyl 2-{[(4-chlorophenyl)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-{[(4-chlorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
tert-butyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Compound characteristics
| Compound ID: | C200-6722 |
| Compound Name: | tert-butyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate |
| Molecular Weight: | 476.06 |
| Molecular Formula: | C23 H26 Cl N3 O2 S2 |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)N=C(C(=N2)SCc1ccc(cc1)[Cl])c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5255 |
| logD: | 5.5255 |
| logSw: | -5.8902 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.989 |
| InChI Key: | ZXAXESIQHUXGJV-UHFFFAOYSA-N |