Chemical ID: 6014042

Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CCCN3CCOCC3)C(=O)c4ccccc4F
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

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Experimental Annotations

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Descriptor Annotations

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