Chemical ID: 5875163

Cc1cccc(c1)n2c(=O)c3ccccc3nc2C(C)N(CC(C)C)C(=O)c4ccc(c(c4)Cl)Cl
Chemical ID:
5875163
Name [?]:
3,4-dichloro-N-isobutyl-N-[1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]benzamide
SMILES [?]:
Cc1cccc(c1)n2c(=O)c3ccccc3nc2C(C)N(CC(C)C)C(=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C28H27Cl2N3O2/c1-17(2)16-32(27(34)20-12-13-23(29)24(30)15-20)19(4)26-31-25-11-6-5-10-22(25)28(35)33(26)21-9-7-8-18(3)14-21/h5-15,17,19H,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:24,25,1,20,13,14,4,3,5,12,15,29,30,7,33,22,23,2,19,28,6,11,31,32,16,18,26,9,35,34,17,21,8,27,10/E:(1,2)/rA:35cCCCCCCCNCOCCCCCCNCCCNCCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s8d17;s18;s19;s19;s21;s22;s23;s23;s21;d26;s26;s28;d29;s30;d31;d28s32;s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27Cl2N3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.9316
Area:711.26
Solvation:-2.84994
Coulombic:-43.9521
Bond Count [?]
All:38
Single:26
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:508.438
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.96
LogP (Chemaxon):6.74

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Descriptor Annotations

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