Chemical ID: 5875100

CCN(C(C)c1nc2ccccc2c(=O)n1c3cccc(c3)C)C(=O)Nc4ccc(cc4Cl)Cl
Chemical ID:
5875100
Name [?]:
3-(2,4-dichlorophenyl)-1-ethyl-1-[1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]urea
SMILES [?]:
CCN(C(C)c1nc2ccccc2c(=O)n1c3cccc(c3)C)C(=O)Nc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C26H24Cl2N4O2/c1-4-31(26(34)30-23-13-12-18(27)15-21(23)28)17(3)24-29-22-11-6-5-10-20(22)25(33)32(24)19-9-7-8-16(2)14-19/h5-15,17H,4H2,1-3H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,23,5,2,11,10,19,20,18,12,9,29,28,22,31,21,4,30,17,13,32,8,27,6,14,24,34,33,7,26,3,16,15,25/rA:34cCCNCCCNCCCCCCCONCCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s4;d6;s7;s8;d9;s10;d11;d8s12;s13;d14;s6s14;s16;s17;d18;s19;d20;d17s21;s21;s3;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24Cl2N4O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.4531
Area:639.694
Solvation:-2.53922
Coulombic:-55.8205
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:495.4
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.79
LogP (Chemaxon):5.62

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Descriptor Annotations

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