Chemical ID: 5880789

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Nc3cccc(c3)OC
Chemical ID:
5880789
Name [?]:
2-[butyl-[(3-methoxyphenyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C27H34ClN5O3/c1-6-7-15-32(26(35)29-19-11-10-12-20(16-19)36-5)18-25(34)30-24-17-23(27(2,3)4)31-33(24)22-14-9-8-13-21(22)28/h8-14,16-17H,6-7,15,18H2,1-5H3,(H,29,35)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,36,2,3,18,17,31,30,32,19,16,4,34,11,6,29,33,20,15,12,10,7,26,22,21,28,9,13,5,14,8,27,35/E:(2,3,4)/rA:36nCCCCNCCONCCCNNCCCCCCClCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s12;s22;s22;s22;s5;d26;s26;s28;s29;d30;s31;d32;d29s33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34ClN5O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.4721
Area:790.994
Solvation:-5.30273
Coulombic:-64.6417
Bond Count [?]
All:38
Single:28
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:512.043
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.21
LogP (Chemaxon):6.07

Name Annotations

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Descriptor Annotations

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