4-chloro-2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3565 |
| Compound Name: | 4-chloro-2-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 493.02 |
| Molecular Formula: | C24 H29 Cl N2 O5 S |
| Smiles: | CC(C)CC(N(CC1CC1)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5415 |
| logD: | 4.5414 |
| logSw: | -4.6287 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.555 |
| InChI Key: | ALFMZXBNKZFHHH-UHFFFAOYSA-N |