Chemical ID: 5885365

CCc1ccccc1NC(=O)N(CCOC)CC(=O)Nc2cc(nn2c3cccc(c3)C)C(C)(C)C
Chemical ID:
5885365
Name [?]:
2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(m-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)N(CCOC)CC(=O)Nc2cc(nn2c3cccc(c3)C)C(C)(C)C
InChi [?]:
InChI=1/C28H37N5O3/c1-7-21-12-8-9-14-23(21)29-27(35)32(15-16-36-6)19-26(34)30-25-18-24(28(3,4)5)31-33(25)22-13-10-11-20(2)17-22/h8-14,17-18H,7,15-16,19H2,1-6H3,(H,29,35)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,32,34,35,36,16,2,5,6,28,29,4,27,7,13,14,31,22,17,30,3,26,8,23,21,18,10,33,9,20,24,12,25,19,11,15/E:(3,4,5)/rA:36nCCCCCCCCNCONCCOCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12;s17;d18;s18;s20;d21;s22;d23;s21s24;s25;s26;d27;s28;d29;d26s30;s30;s23;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H37N5O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.2261
Area:776.997
Solvation:-5.19883
Coulombic:-65.0454
Bond Count [?]
All:38
Single:28
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:491.625
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.26
LogP (Chemaxon):5.12

Name Annotations

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Descriptor Annotations

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