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Chemical ID: 6014042
Chemical ID:
6014042
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-2-fluoro-N-(3-morpholinopropyl)benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CCCN3CCOCC3)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C29H34FN3O4/c1-23-12-13-25(37-23)21-33(20-24-8-3-2-4-9-24)28(34)22-32(15-7-14-31-16-18-36-19-17-31)29(35)26-10-5-6-11-27(26)30/h2-6,8-13H,7,14-22H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,33,34,21,11,15,32,35,3,4,22,20,24,28,25,27,9,7,18,2,10,5,31,36,16,29,37,23,19,8,17,30,26,6/E:(3,4)(8,9)(16,17)(18,19)/rA:37nCCCCCOCNCCCCCCCCOCNCCCNCCOCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s19;d29;s29;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34FN3O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7157 |
Area: | 724.091 |
Solvation: | -7.38659 |
Coulombic: | -57.5691 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 507.596 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.7 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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