N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide
N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | 3616-2316 |
| Compound Name: | N-{[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nc2cc(ccc2o1)NC(NC(c1ccco1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7453 |
| logD: | 3.745 |
| logSw: | -4.1694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.889 |
| InChI Key: | LIPMCMYFGDPRMX-UHFFFAOYSA-N |