2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]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-(3,4-dimethoxyphenyl)ethyl]acetamide
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | S529-0306 |
| Compound Name: | 2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C23 H28 N4 O4 |
| Smiles: | COc1ccc(CCNC(CN2CCCc3c(cnc(C4CC4)n3)C2=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.01 |
| logD: | 1.0099 |
| logSw: | -2.2647 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.336 |
| InChI Key: | IKLJRXKTKVUSJC-UHFFFAOYSA-N |