N'-(3-chloro-2-methylphenyl)-N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-[2-(morpholin-4-yl)ethyl]thiourea
Chemical Structure Depiction of
N'-(3-chloro-2-methylphenyl)-N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-[2-(morpholin-4-yl)ethyl]thiourea
N'-(3-chloro-2-methylphenyl)-N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-[2-(morpholin-4-yl)ethyl]thiourea
Compound characteristics
| Compound ID: | K788-0228 |
| Compound Name: | N'-(3-chloro-2-methylphenyl)-N-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-[2-(morpholin-4-yl)ethyl]thiourea |
| Molecular Weight: | 518.12 |
| Molecular Formula: | C27 H36 Cl N3 O3 S |
| Smiles: | CCOc1ccc2c(c1)C(CC(C)(C)O2)N(CCN1CCOCC1)C(Nc1cccc(c1C)[Cl])=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.843 |
| logD: | 5.5154 |
| logSw: | -6.1358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.574 |
| InChI Key: | RZTPPWGFXBSIAY-DEOSSOPVSA-N |