methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C250-0024 |
| Compound Name: | methyl 2-{2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSC1C(c2ccccc2)=NC2(CCCC2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4561 |
| logD: | 3.4442 |
| logSw: | -3.8179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.072 |
| InChI Key: | KMCPUIYXRGHFAS-UHFFFAOYSA-N |