(2E)-N-[(2-chloro-5-propanamidophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
(2E)-N-[(2-chloro-5-propanamidophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
(2E)-N-[(2-chloro-5-propanamidophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | IB05-5524 |
| Compound Name: | (2E)-N-[(2-chloro-5-propanamidophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 417.91 |
| Molecular Formula: | C20 H20 Cl N3 O3 S |
| Smiles: | CCC(Nc1ccc(c(c1)NC(NC(/C=C/c1ccc(cc1)OC)=O)=S)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 4.22 |
| logSw: | -4.94 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 156.42 |
| InChI Key: | NTUVLHIUHQHQQI-UHFFFAOYSA-N |