3-chloro-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide
Chemical Structure Depiction of
3-chloro-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide
3-chloro-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | D487-0114 |
| Compound Name: | 3-chloro-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Smiles: | C=CCN1C(COc2ccc(cc12)c1csc(NC(c2cccc(c2)[Cl])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6801 |
| logD: | 4.6752 |
| logSw: | -4.9031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.184 |
| InChI Key: | COPVMJZENBZKPE-UHFFFAOYSA-N |