N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-bromobenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-bromobenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-bromobenzamide
Compound characteristics
| Compound ID: | 4028-2389 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-bromobenzamide |
| Molecular Weight: | 482.35 |
| Molecular Formula: | C22 H16 Br N3 O3 S |
| Smiles: | COc1ccc(cc1NC(NC(c1ccc(cc1)[Br])=O)=S)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.8164 |
| logD: | 5.8153 |
| logSw: | -5.6401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.983 |
| InChI Key: | YGPBNDXZRJVDPD-UHFFFAOYSA-N |