Chemical ID: 5880414

CCCN(CC(=O)Nc1cc(nn1c2ccccc2)c3ccccc3)C(=O)c4ccc(c(c4)Cl)Cl
Chemical ID:
5880414
Name [?]:
3,4-dichloro-N-[(2,5-diphenylpyrazol-3-yl)carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1cc(nn1c2ccccc2)c3ccccc3)C(=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C27H24Cl2N4O2/c1-2-15-32(27(35)20-13-14-22(28)23(29)16-20)18-26(34)30-25-17-24(19-9-5-3-6-10-19)31-33(25)21-11-7-4-8-12-21/h3-14,16-17H,2,15,18H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,2,23,17,22,24,16,18,21,25,15,19,29,30,3,33,10,5,20,28,14,31,32,11,9,6,26,35,34,8,12,4,13,7,27/E:(5,6)(7,8)(9,10)(11,12)/rA:35nCCCNCCONCCCNNCCCCCCCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s11;s20;d21;s22;d23;d20s24;s4;d26;s26;s28;d29;s30;d31;d28s32;s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24Cl2N4O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.6578
Area:752.056
Solvation:-4.14358
Coulombic:-46.5717
Bond Count [?]
All:38
Single:25
Double:13
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:507.411
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.82
LogP (Chemaxon):6.1

Name Annotations

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Descriptor Annotations

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