Chemical ID: 5883218

CCc1ccccc1NC(=O)N(CC)CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C
Chemical ID:
5883218
Name [?]:
2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)N(CC)CC(=O)Nc2cc(nn2c3ccc(cc3)C)C(C)(C)C
InChi [?]:
InChI=1/C27H35N5O2/c1-7-20-11-9-10-12-22(20)28-26(34)31(8-2)18-25(33)29-24-17-23(27(4,5)6)30-32(24)21-15-13-19(3)14-16-21/h9-17H,7-8,18H2,1-6H3,(H,28,34)(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,14,30,32,33,34,2,13,5,6,4,7,26,28,25,29,20,15,27,3,24,8,21,19,16,10,31,9,18,22,12,23,17,11/E:(4,5,6)(13,14)(15,16)/rA:34nCCCCCCCCNCONCCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s12;s15;d16;s16;s18;d19;s20;d21;s19s22;s23;s24;d25;s26;d27;d24s28;s27;s21;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H35N5O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.4453
Area:735.002
Solvation:-3.92977
Coulombic:-57.4461
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:461.599
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.87
LogP (Chemaxon):5.62

Name Annotations

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Descriptor Annotations

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