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Chemical ID: 5248236
Chemical ID:
5248236
Name [?]:
sec-butyl (4-methyl-3-sec-butoxycarbonylamino-phenyl)aminoformate
SMILES [?]:
CCC(C)OC(=O)Nc1ccc(c(c1)NC(=O)OC(C)CC)C
InChi [?]:
InChI=1/C17H26N2O4/c1-6-12(4)22-16(20)18-14-9-8-11(3)15(10-14)19-17(21)23-13(5)7-2/h8-10,12-13H,6-7H2,1-5H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,23,4,20,2,21,11,10,14,12,3,19,9,13,6,16,8,15,7,17,5,18/rA:23cCCCCOCONCCCCCCNCOOCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s16;s18;s19;s19;s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.0043 |
Area: | 566.721 |
Solvation: | -2.16375 |
Coulombic: | -67.6288 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 322.399 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.58 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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