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Chemical ID: 5901476
Chemical ID:
5901476
Name [?]:
4-butyl-N-[1-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]ethyl]benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)NC(C)c2nc3ccccc3c(=O)n2CCOC
InChi [?]:
InChI=1/C24H29N3O3/c1-4-5-8-18-11-13-19(14-12-18)23(28)25-17(2)22-26-21-10-7-6-9-20(21)24(29)27(22)15-16-30-3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,15,30,2,3,21,20,4,22,19,6,10,7,9,27,28,14,5,8,23,18,16,11,24,13,17,26,12,25,29/E:(11,12)(13,14)/rA:30cCCCCCCCCCCCONCCCNCCCCCCCONCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s14;d16;s17;s18;d19;s20;d21;d18s22;s23;d24;s16s24;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9536 |
Area: | 657.799 |
Solvation: | -3.49135 |
Coulombic: | -55.4315 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 407.505 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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