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Chemical ID: 6023625
Chemical ID:
6023625
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(2-methoxyethyl)-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
InChi [?]:
InChI=1/C29H35FN2O3S/c1-3-4-5-7-23-9-13-25(14-10-23)29(34)31(17-18-35-2)22-28(33)32(21-27-8-6-19-36-27)20-24-11-15-26(30)16-12-24/h6,8-16,19H,3-5,7,17-18,20-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,3,4,34,5,33,7,11,25,29,8,10,26,28,15,16,35,23,31,19,6,24,9,27,32,20,12,30,14,22,21,13,17,36/E:(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCCCCCCCCONCCOCCCONCCCCCCCFCCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s22;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H35FN2O3S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2105 |
Area: | 736.008 |
Solvation: | -5.18966 |
Coulombic: | -49.82 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 510.664 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.94 |
LogP (Chemaxon): | 5.36 |
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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