Chemical ID: 5873580

CCCn1c(=O)c2ccccc2nc1C(C)N(CC)C(=O)Nc3ccccc3C
Chemical ID:
5873580
Name [?]:
1-ethyl-3-(o-tolyl)-1-[1-(4-oxo-3-propyl-quinazolin-2-yl)ethyl]urea
SMILES [?]:
CCCn1c(=O)c2ccccc2nc1C(C)N(CC)C(=O)Nc3ccccc3C
InChi [?]:
InChI=1/C23H28N4O2/c1-5-15-27-21(24-20-14-10-8-12-18(20)22(27)28)17(4)26(6-2)23(29)25-19-13-9-7-11-16(19)3/h7-14,17H,5-6,15H2,1-4H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,19,29,16,2,18,26,9,25,10,27,8,24,11,3,28,15,7,23,12,14,5,20,13,22,17,4,6,21/rA:29cCCCNCOCCCCCCNCCCNCCCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s4d13;s14;s15;s15;s17;s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.6706
Area:604.85
Solvation:-2.45061
Coulombic:-55.4072
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.494
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):3.98

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Descriptor Annotations

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