Chemical ID: 5875092

Cc1cccc(c1)n2c(=O)c3ccccc3nc2C(C)N(C)C(=O)Nc4ccc(c(c4)Cl)Cl
Chemical ID:
5875092
Name [?]:
3-(3,4-dichlorophenyl)-1-methyl-1-[1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]urea
SMILES [?]:
Cc1cccc(c1)n2c(=O)c3ccccc3nc2C(C)N(C)C(=O)Nc4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C25H22Cl2N4O2/c1-15-7-6-8-18(13-15)31-23(29-22-10-5-4-9-19(22)24(31)32)16(2)30(3)25(33)28-17-11-12-20(26)21(27)14-17/h4-14,16H,1-3H3,(H,28,33)
InChi Info:
AuxInfo=1/1/N:1,20,22,13,14,4,3,5,12,15,27,28,7,31,2,19,26,6,11,29,30,16,18,9,23,33,32,25,17,21,8,10,24/rA:33cCCCCCCCNCOCCCCCCNCCCNCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s8d17;s18;s19;s19;s21;s21;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22Cl2N4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.8493
Area:671.728
Solvation:-2.94391
Coulombic:-55.3113
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:481.373
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.37
LogP (Chemaxon):5.92

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Descriptor Annotations

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