6-ethyl-4-({4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethyl-4-({4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
6-ethyl-4-({4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0941 |
| Compound Name: | 6-ethyl-4-({4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]piperazin-1-yl}methyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(N1CCOc3ccc(C)cc13)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.9618 |
| logD: | 2.9006 |
| logSw: | -3.3274 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.927 |
| InChI Key: | XPUWZPYLIYNAMC-UHFFFAOYSA-N |