N-(2,4-dimethoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
N-(2,4-dimethoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E971-0347 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-[(1'H-spiro[cycloheptane-1,2'-quinazolin]-4'-yl)sulfanyl]acetamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C24 H29 N3 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1c2ccccc2NC2(CCCCCC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6812 |
| logD: | 4.6809 |
| logSw: | -4.4235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.998 |
| InChI Key: | QXNKRMRGHZHVGL-UHFFFAOYSA-N |