Chemical ID: 5875502

CCCN(C(CC)c1nc2ccccc2c(=O)n1c3ccc(c(c3)C)C)C(=O)c4ccccc4Cl
Chemical ID:
5875502
Name [?]:
2-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-propyl-benzamide
SMILES [?]:
CCCN(C(CC)c1nc2ccccc2c(=O)n1c3ccc(c(c3)C)C)C(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C29H30ClN3O2/c1-5-17-32(28(34)22-11-7-9-13-24(22)30)26(6-2)27-31-25-14-10-8-12-23(25)29(35)33(27)21-16-15-19(3)20(4)18-21/h7-16,18,26H,5-6,17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,26,25,2,6,31,13,32,12,30,14,33,11,21,20,3,24,22,23,19,29,15,34,10,5,8,27,16,35,9,4,18,28,17/rA:35cCCCNCCCCNCCCCCCCONCCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s8s16;s18;s19;d20;s21;d22;d19s23;s23;s22;s4;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30ClN3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.5657
Area:661.4
Solvation:-2.96935
Coulombic:-43.7324
Bond Count [?]
All:38
Single:26
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:488.02
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.83
LogP (Chemaxon):6.75

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Descriptor Annotations

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