N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}thiophene-2-carboxamide
N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D487-0179 |
| Compound Name: | N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}thiophene-2-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C20 H17 N3 O3 S2 |
| Smiles: | Cc1c(c2ccc3c(c2)N(CC=C)C(CO3)=O)nc(NC(c2cccs2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0341 |
| logD: | 4.0331 |
| logSw: | -4.147 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.973 |
| InChI Key: | QDRAOKHMDKESKN-UHFFFAOYSA-N |