N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0402 |
| Compound Name: | N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | CCN(CCNC(CN1CCCc2c(cnc(C3CC3)n2)C1=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7841 |
| logD: | 1.1794 |
| logSw: | -2.5123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.761 |
| InChI Key: | OBKGTMCLBLGHDI-UHFFFAOYSA-N |