[(2R)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(3,3-dimethylbutyl)carbamate

Update Time: 2025-04-25 16:31:57

	Common Name	[(2R)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(3,3-dimethylbutyl)carbamate	English Name	[(2R)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(3,3-dimethylbutyl)carbamate
	CAS NO.	N/A	Molecular Weight	437.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₃₁N₃O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	[(2R)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(3,3-dimethylbutyl)carbamate

Molecular Formula	C25H31N3O4
Molecular Weight	437.5
Exact Mass	437.23145648
LogP	4.30
Standard SMILES	CC(OC(=O)NCCC(C)(C)C)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21
Canonical SMILES	CC(C(=O)NC1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)OC(=O)NCCC(C)(C)C
Isomeric SMILES	C[C@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)OC(=O)NCCC(C)(C)C
Standard InChI Identifier	InChI=1S/C25H31N3O4/c1-16(32-24(31)26-15-14-25(2,3)4)22(29)27-21-19-12-7-6-10-17(19)18-11-8-9-13-20(18)28(5)23(21)30/h6-13,16,21H,14-15H2,1-5H3,(H,26,31)(H,27,29)/t16-,21+/m1/s1
Standard InChI Key	NAKINUVPTYKITM-IERDGZPVSA-N
Compound Complexity	689.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：2 Rotatable Bond Count：7 Heavy Atom Count：32 Total Chiral Atom Count：2 Defined Chiral Atom Count：2 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：437.23145648