N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]thiourea
Chemical Structure Depiction of
N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]thiourea
N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]thiourea
Compound characteristics
| Compound ID: | K788-0068 |
| Compound Name: | N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-(2-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]thiourea |
| Molecular Weight: | 499.67 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Smiles: | CCOc1ccc2c(c1)C(CC(C)(C)O2)N(CCN1CCOCC1)C(Nc1ccccc1OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7887 |
| logD: | 4.4612 |
| logSw: | -4.5336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.204 |
| InChI Key: | QEDVHRLRRHAXOX-QHCPKHFHSA-N |