(2S)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Update Time: 2025-04-25 17:03:18

	Common Name	(2S)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide	English Name	(2S)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
	CAS NO.	N/A	Molecular Weight	416.9
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₂₉ClN₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(2S)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Molecular Formula	C22H29ClN4O2
Molecular Weight	416.9
Exact Mass	416.1979039
LogP	2.20
Standard SMILES	Cn1cc(Cl)c(CN(CCN2CCOCC2)C(=O)C2CCc3ccccc3C2)n1
Canonical SMILES	CN1C=C(C(=N1)CN(CCN2CCOCC2)C(=O)C3CCC4=CC=CC=C4C3)Cl
Isomeric SMILES	CN1C=C(C(=N1)CN(CCN2CCOCC2)C(=O)[C@H]3CCC4=CC=CC=C4C3)Cl
Standard InChI Identifier	InChI=1S/C22H29ClN4O2/c1-25-15-20(23)21(24-25)16-27(9-8-26-10-12-29-13-11-26)22(28)19-7-6-17-4-2-3-5-18(17)14-19/h2-5,15,19H,6-14,16H2,1H3/t19-/m0/s1
Standard InChI Key	BYSBPMCLFVECER-IBGZPJMESA-N
Compound Complexity	545.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：6 Heavy Atom Count：29 Total Chiral Atom Count：1 Defined Chiral Atom Count：1 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：416.1979039