2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)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-(4-ethylpiperazin-1-yl)ethyl]acetamide
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | S529-0393 |
| Compound Name: | 2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C21 H32 N6 O2 |
| Smiles: | CCN1CCN(CCNC(CN2CCCc3c(cnc(C4CC4)n3)C2=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | -0.1103 |
| logD: | -0.9028 |
| logSw: | -1.7617 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.594 |
| InChI Key: | FHUBCDDNERAZQL-UHFFFAOYSA-N |