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202578-52-7

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Basic Information
CAS No.: 202578-52-7
Name: DMP 696
Molecular Structure:
Molecular Structure of 202578-52-7 (DMP 696)
Formula: C18H21Cl2N5O2
Molecular Weight: 410.2976
Synonyms: 8-(2,4-Dichlorophenyl)-N-[2-methoxy-1-(methoxymethyl)ethyl]-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;
Density: 1.393 g/cm3
Melting Point: 120-121 °C
PSA: 73.57000
LogP: 3.86120
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Specification

The CAS registry number of DMP 696 is 202578-52-7. This chemical's molecular formula is C18H21Cl2N5O2 and molecular weight is 410.2976. What's more, its systematic name is called 8-(2,4-Dichlorophenyl)-N-[2-methoxy-1-(methoxymethyl)ethyl]-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Physical properties about DMP 696 are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 197; (6)ACD/BCF (pH 7.4): 197; (7)ACD/KOC (pH 5.5): 1525; (8)ACD/KOC (pH 7.4): 1529; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 73.57 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 105.266 cm3; (15)Molar Volume: 294.49 cm3; (16)Surface Tension: 45.319 dyne/cm; (17)Density: 1.393 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc3ccc(c2c(nn1c2nc(nc1NC(COC)COC)C)C)c(Cl)c3
(2) InChI: InChI=1/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
(3) InChIKey: MDWRPTOUDPFXKK-UHFFFAOYAZ