3-(3-chloro-4-fluorobenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine
Chemical Structure Depiction of
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine
3-(3-chloro-4-fluorobenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine
Compound characteristics
| Compound ID: | CM4115-0719 |
| Compound Name: | 3-(3-chloro-4-fluorobenzene-1-sulfonyl)-N-cyclopentyl-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine |
| Molecular Weight: | 442.98 |
| Molecular Formula: | C20 H28 Cl F N4 O2 S |
| Smiles: | C1CCC(C1)NC1C2(CCN(CC2)S(c2ccc(c(c2)[Cl])F)(=O)=O)NCCCN=1 |
| Stereo: | ACHIRAL |
| logP: | 3.3363 |
| logD: | 0.4174 |
| logSw: | -3.6764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.788 |
| InChI Key: | WIHMXKQCDUPKAC-UHFFFAOYSA-N |