ethyl 4-{2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E971-0207 |
| Compound Name: | ethyl 4-{2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1c2ccccc2NC2(CCCCCC2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5374 |
| logD: | 5.5371 |
| logSw: | -5.1961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.275 |
| InChI Key: | FRZDFYWVOIAVKY-UHFFFAOYSA-N |