1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-dimethoxyphenyl)prolinamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-dimethoxyphenyl)prolinamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-dimethoxyphenyl)prolinamide
Compound characteristics
| Compound ID: | F632-1280 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-(2,5-dimethoxyphenyl)prolinamide |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C21 H22 Cl N3 O7 S |
| Smiles: | COc1ccc(c(c1)NC(C1CCCN1S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8981 |
| logD: | 1.8395 |
| logSw: | -2.9647 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.624 |
| InChI Key: | HCPZMQOWXPJOEM-INIZCTEOSA-N |