methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5-dimethoxybenzoate
methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | D443-0640 |
| Compound Name: | methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5-dimethoxybenzoate |
| Molecular Weight: | 445.86 |
| Molecular Formula: | C22 H20 Cl N O7 |
| Smiles: | COC(c1cc(c(cc1NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.264 |
| logD: | 3.8184 |
| logSw: | -4.4893 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.006 |
| InChI Key: | YOFXDPLFJALTET-UHFFFAOYSA-N |