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Chemical ID: 6013978
Chemical ID:
6013978
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-cyclopentyl-N-(2-morpholinoethyl)propanamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CCN3CCOCC3)C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C29H41N3O4/c1-24-11-13-27(36-24)22-32(21-26-9-3-2-4-10-26)29(34)23-31(16-15-30-17-19-35-20-18-30)28(33)14-12-25-7-5-6-8-25/h2-4,9-11,13,25H,5-8,12,14-23H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,34,35,33,36,11,15,3,31,4,30,21,20,23,27,24,26,9,7,18,2,32,10,5,28,16,22,19,8,29,17,25,6/E:(3,4)(5,6)(7,8)(9,10)(17,18)(19,20)/rA:36nCCCCCOCNCCCCCCCCOCNCCNCCOCCCOCCCCCCC/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;s22s26;s19;d28;s28;s30;s31;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H41N3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1985 |
Area: | 783.813 |
Solvation: | -6.39688 |
Coulombic: | -53.1324 |
Bond Count [?]
All: | 39 |
Single: | 32 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 495.654 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.67 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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