2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S529-0332 |
| Compound Name: | 2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C22 H26 N4 O4 |
| Smiles: | COc1cccc(CNC(CN2CCCc3c(cnc(C4CC4)n3)C2=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8591 |
| logD: | 1.859 |
| logSw: | -2.6157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.581 |
| InChI Key: | KJCYSQVEAVBPED-UHFFFAOYSA-N |