N-(3-chloro-4-methoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E971-0417 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide |
| Molecular Weight: | 443.99 |
| Molecular Formula: | C23 H26 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1c2ccccc2NC2(CCCCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4466 |
| logD: | 5.4462 |
| logSw: | -5.7529 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.152 |
| InChI Key: | HAWUBCCCEDCQTK-UHFFFAOYSA-N |