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Chemical ID: 7022352
Chemical ID:
7022352
Name [?]:
N-[5-[(4-dimethylaminophenyl)methyleneaminocarbamoyl]-5-(1-piperidyl)pentyl]benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N3CCCCC3
InChi [?]:
InChI=1/C27H37N5O2/c1-31(2)24-16-14-22(15-17-24)21-29-30-27(34)25(32-19-9-4-10-20-32)13-7-8-18-28-26(33)23-11-5-3-6-12-23/h3,5-6,11-12,14-17,21,25H,4,7-10,13,18-20H2,1-2H3,(H,28,33)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,3,26,32,25,27,17,18,31,33,24,28,16,6,8,5,9,19,30,34,10,7,23,4,15,21,13,20,11,12,2,29,22,14/E:(1,2)(5,6)(9,10)(11,12)(14,15)(16,17)(19,20)/rA:34cCNCCCCCCCCNNCOCCCCCNCOCCCCCCNCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s15;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H37N5O2 |
All Atoms: | 71 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.6234 |
Area: | 780.929 |
Solvation: | -5.89981 |
Coulombic: | -53.0393 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 463.615 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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