4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7832 |
| Compound Name: | 4-chloro-2-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C23 H28 Cl N3 O6 S |
| Smiles: | CCNC(N(CC1CCCO1)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7466 |
| logD: | 2.7465 |
| logSw: | -3.582 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.983 |
| InChI Key: | RRCHLCVZOVGRER-HXUWFJFHSA-N |