Chemical ID: 7218469

CC1=CC(N(N1)C(=O)c2ccn(n2)COc3cccc(c3)Cl)(C(F)F)O
Chemical ID:
7218469
Name [?]:
[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[5-(difluoromethyl)-5-hydroxy-3-methyl-2H-pyrazol-1-yl]-methanone
SMILES [?]:
CC1=CC(N(N1)C(=O)c2ccn(n2)COc3cccc(c3)Cl)(C(F)F)O
InChi [?]:
InChI=1/C16H15ClF2N4O3/c1-10-8-16(25,15(18)19)23(20-10)14(24)13-5-6-22(21-13)9-26-12-4-2-3-11(17)7-12/h2-8,15,20,25H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,10,11,21,3,14,2,20,16,9,7,23,4,22,24,25,6,13,12,5,8,26,15/E:(18,19)/rA:26cCCCCNNCOCCCNNCOCCCCCCClCFFO/rB:s1;d2;s3;s4;s2s5;s5;d7;s7;s9;d10;s11;d9s12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s4;s23;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClF2N4O3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:7.72095
Area:569.028
Solvation:-6.50476
Coulombic:-63.0942
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.765
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):2.68

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