methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C250-0025 |
| Compound Name: | methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSC1C(c2ccccc2)=NC2(CCCCC2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9578 |
| logD: | 3.9459 |
| logSw: | -4.0037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.706 |
| InChI Key: | SMRZGAIIQQGCCP-UHFFFAOYSA-N |