5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thiophene-2-carboxamide
Chemical Structure Depiction of
5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thiophene-2-carboxamide
5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C798-1025 |
| Compound Name: | 5-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)thiophene-2-carboxamide |
| Molecular Weight: | 496.07 |
| Molecular Formula: | C27 H30 Cl N3 O2 S |
| Smiles: | Cc1ccc(CN2CCC(CC2)CNC(c2ccc(N3CCOc4ccc(cc34)[Cl])s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0478 |
| logD: | 3.3268 |
| logSw: | -6.1007 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.822 |
| InChI Key: | AGZPCQHRBAFQOO-UHFFFAOYSA-N |