methyl 4-chloro-3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-chloro-3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
methyl 4-chloro-3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J014-0180 |
| Compound Name: | methyl 4-chloro-3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C18 H17 Cl N2 O6 S |
| Smiles: | COC(c1ccc(c(c1)NC(C1CN(c2ccccc2O1)S(C)(=O)=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7464 |
| logD: | 2.7423 |
| logSw: | -3.6131 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.723 |
| InChI Key: | LLHRFHLTMMDBOL-INIZCTEOSA-N |