2-cyclopropyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Chemical Structure Depiction of
2-cyclopropyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
2-cyclopropyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
Compound ID: | S529-0318 |
Compound Name: | 2-cyclopropyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
Molecular Weight: | 357.45 |
Molecular Formula: | C19 H27 N5 O2 |
Smiles: | CCN1CCN(CC1)C(CN1CCCc2c(cnc(C3CC3)n2)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 0.2525 |
logD: | 0.0763 |
logSw: | -1.3934 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 57.691 |
InChI Key: | MRWFSTBKHOETGP-UHFFFAOYSA-N |