N-(3-chloro-4-methylphenyl)-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea
N-(3-chloro-4-methylphenyl)-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea
Compound characteristics
| Compound ID: | Y502-3869 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea |
| Molecular Weight: | 358.84 |
| Molecular Formula: | C18 H15 Cl N2 O2 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(Nc1ccc(C)c(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.1524 |
| logD: | 5.1524 |
| logSw: | -5.4532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.468 |
| InChI Key: | WHDMPPGYWKAYFL-UHFFFAOYSA-N |